Receptor
PDB id Resolution Class Description Source Keywords
5X7Q 1.95 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF PAENIBACILLUS SP. 598K ALPHA-1,6- GLUCOSYLTRANSFERASE COMPLEXED WITH MALTOHEXAOSE PAENIBACILLUS SP. 598K GLYDOSIDE HYDROLASE FAMILY 31 CARBOHYDRATE-BINDING MODULE FCARBOHYDRATE-BINDING MODULE FAMILY 61 HYDROLASE TRANSFERA
Ref.: CARBOHYDRATE-BINDING ARCHITECTURE OF THE MULTI-MODU ALPHA-1,6-GLUCOSYLTRANSFERASE FROM PAENIBACILLUS SP WHICH PRODUCES ALPHA-1,6-GLUCOSYL-ALPHA-GLUCOSACCHA FROM STARCH BIOCHEM. J. V. 474 2763 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1711;
B:1711;
A:1705;
B:1713;
B:1706;
A:1703;
B:1707;
B:1704;
B:1714;
B:1715;
B:1702;
B:1710;
B:1701;
A:1706;
A:1702;
A:1708;
A:1701;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GLC GLC GLC GLC B:1419;
A:1460;
Valid;
Valid;
none;
none;
submit data
666.579 n/a O(C1O...
MG B:1601;
A:1602;
A:1605;
B:1602;
A:1601;
A:1604;
A:1603;
B:1604;
B:1606;
B:1605;
A:1606;
B:1603;
Part of Protein;
Invalid;
Invalid;
Invalid;
Part of Protein;
Invalid;
Invalid;
Invalid;
Part of Protein;
Invalid;
Part of Protein;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
GLC A:1451;
B:1451;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
ACR B:1481;
A:1481;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.5;
Atoms found LESS than expected: % Diff = 0.5;
submit data
645.605 C25 H43 N O18 C[C@@...
EDO A:1801;
A:1804;
A:1803;
B:1805;
B:1802;
B:1803;
A:1802;
B:1801;
B:1804;
A:1805;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MES A:1709;
B:1709;
A:1710;
A:1707;
B:1705;
A:1704;
B:1712;
B:1703;
B:1708;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
CA B:1301;
A:1303;
A:1302;
B:1302;
B:1303;
A:1301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NI B:1501;
A:1501;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
GLC GLC A:1431;
B:1431;
Valid;
Valid;
none;
none;
submit data
358.296 n/a O1C(O...
BGC A:1401;
B:1401;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC GLC B:1461;
Valid;
none;
submit data
504.438 n/a O1C(O...
GLC GLC GLC BGC B:1470;
A:1470;
Valid;
Valid;
none;
none;
submit data
666.579 n/a O(C1O...
GLC GLC GLC GLC GLC A:1418;
Valid;
none;
submit data
828.72 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5X7Q 1.95 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF PAENIBACILLUS SP. 598K ALPHA-1,6- GLUCOSYLTRANSFERASE COMPLEXED WITH MALTOHEXAOSE PAENIBACILLUS SP. 598K GLYDOSIDE HYDROLASE FAMILY 31 CARBOHYDRATE-BINDING MODULE FCARBOHYDRATE-BINDING MODULE FAMILY 61 HYDROLASE TRANSFERA
Ref.: CARBOHYDRATE-BINDING ARCHITECTURE OF THE MULTI-MODU ALPHA-1,6-GLUCOSYLTRANSFERASE FROM PAENIBACILLUS SP WHICH PRODUCES ALPHA-1,6-GLUCOSYL-ALPHA-GLUCOSACCHA FROM STARCH BIOCHEM. J. V. 474 2763 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5X7R - ACR C25 H43 N O18 C[C@@H]1[C....
2 5X7P - ACR C25 H43 N O18 C[C@@H]1[C....
3 5X7Q - GLC GLC GLC GLC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5X7R - ACR C25 H43 N O18 C[C@@H]1[C....
2 5X7P - ACR C25 H43 N O18 C[C@@H]1[C....
3 5X7Q - GLC GLC GLC GLC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5X7R - ACR C25 H43 N O18 C[C@@H]1[C....
2 5X7P - ACR C25 H43 N O18 C[C@@H]1[C....
3 5X7Q - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 190
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 M5S 0.833333 1
3 MAN BMA MAN MAN MAN 0.833333 1
4 MAN MAN BMA MAN 0.730159 1
5 MAN MAN MAN MAN 0.730159 1
6 MAN MAN MAN 0.684211 1
7 GLC GLC GLC GLC GLC BGC 0.684211 1
8 GLC GLC GLC 0.684211 1
9 GLC GLC GLC GLC BGC 0.684211 1
10 GAL GAL 0.678571 1
11 GLA BGC 0.678571 1
12 BMA GLA 0.678571 1
13 GLA GLC 0.678571 1
14 MAN BMA 0.678571 1
15 LAK 0.678571 1
16 BGC GLA 0.678571 1
17 GLA BMA 0.678571 1
18 MLB 0.678571 1
19 GLC GLC GLC BGC 0.666667 1
20 M3M 0.631579 1
21 MAN GLC 0.631579 1
22 LB2 0.631579 1
23 MAN MMA MAN 0.630769 0.942857
24 GAL GAL SO4 0.615385 0.702128
25 GLC GLC GLC GLC GLC GLC 0.61194 1
26 MAN MAN MAN BMA MAN 0.589041 1
27 BGC BGC BGC BGC BGC 0.580645 1
28 BGC BGC BGC GLC BGC BGC 0.580645 1
29 BGC BGC BGC ASO BGC BGC ASO 0.580645 1
30 GLC BGC BGC BGC BGC BGC BGC 0.580645 1
31 GLC BGC BGC BGC 0.580645 1
32 BGC BGC BGC 0.580645 1
33 AHR AHR AHR 0.559322 0.857143
34 FUB AHR AHR 0.559322 0.857143
35 MAN MMA 0.557377 0.942857
36 BGC BGC GLC 0.553846 1
37 WZ3 0.547945 0.916667
38 P3M 0.542857 0.767442
39 BMA BMA GLA BMA BMA 0.541667 1
40 FUB AHR 0.534483 0.857143
41 AHR AHR 0.534483 0.857143
42 NAG BMA MAN MAN MAN MAN 0.53012 0.733333
43 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.529412 0.6875
44 1GN ACY GAL ACY 1GN BGC GAL BGC 0.529412 0.6875
45 BMA MAN MAN 0.522388 1
46 MAN H1M MAN 0.513514 0.868421
47 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
48 MAN MAN NAG MAN NAG 0.494382 0.6875
49 NAG NAG BMA MAN MAN 0.494382 0.6875
50 NAG MAN GAL MAN MAN NAG GAL 0.494382 0.6875
51 MAN MAN MAN MAN MAN MAN MAN MAN 0.494253 0.846154
52 BMA NGT MAN MAN 0.488372 0.66
53 CGC 0.485294 0.941176
54 BGC BGC XYS BGC 0.481013 0.942857
55 NAG BMA MAN MAN MAN MAN MAN 0.47561 0.868421
56 GLC BGC BGC BGC XYS BGC XYS XYS 0.470588 0.916667
57 GLC BGC BGC XYS BGC XYS XYS 0.463415 0.942857
58 BGC BGC BGC XYS BGC XYS XYS 0.463415 0.942857
59 BGC BGC XYS BGC XYS BGC XYS 0.463415 0.942857
60 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.462366 0.733333
61 GLA GAL GAL 0.457143 1
62 GLA GAL BGC 0.457143 1
63 NAG MAN MAN MAN NAG 0.453488 0.6875
64 RAF 0.453333 0.891892
65 FRU GLC GLA 0.453333 0.891892
66 B2G 0.453125 1
67 BGC BMA 0.453125 1
68 GLA GAL 0.453125 1
69 MAL MAL 0.453125 0.970588
70 GAL BGC 0.453125 1
71 GAL GLC 0.453125 1
72 GLC GAL 0.453125 1
73 BMA BMA 0.453125 1
74 BMA GAL 0.453125 1
75 GLC BGC 0.453125 1
76 N9S 0.453125 1
77 MAB 0.453125 1
78 CBI 0.453125 1
79 LAT 0.453125 1
80 GLA GLA 0.453125 1
81 BGC GLC 0.453125 1
82 CBK 0.453125 1
83 BGC GAL 0.453125 1
84 MAL 0.453125 1
85 LBT 0.453125 1
86 BGC BGC BGC BGC BGC BGC BGC BGC 0.452055 1
87 BGC BGC BGC BGC 0.452055 1
88 GLC GLC GLC GLC GLC GLC GLC GLC 0.447761 1
89 GLC BGC BGC 0.447761 1
90 BGC GLC GLC GLC GLC 0.447761 1
91 BMA MAN BMA 0.447761 1
92 MT7 0.447761 1
93 CEY 0.447761 1
94 GLC BGC BGC BGC BGC 0.447761 1
95 CT3 0.447761 1
96 GLC GAL GAL 0.447761 1
97 MAN BMA BMA BMA BMA 0.447761 1
98 BMA BMA BMA 0.447761 1
99 BMA BMA BMA BMA BMA 0.447761 1
100 CEX 0.447761 1
101 GLC GLC GLC GLC GLC 0.447761 1
102 B4G 0.447761 1
103 GLC BGC BGC BGC BGC BGC 0.447761 1
104 DXI 0.447761 1
105 CTR 0.447761 1
106 MLR 0.447761 1
107 GLC GLC GLC GLC GLC GLC GLC 0.447761 1
108 MAN MAN BMA BMA BMA BMA 0.447761 1
109 GLC GLC BGC 0.447761 1
110 CTT 0.447761 1
111 BGC GLC GLC 0.447761 1
112 BGC GLC GLC GLC 0.447761 1
113 GAL GAL GAL 0.447761 1
114 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.447761 1
115 MAN BMA BMA 0.447761 1
116 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.447761 1
117 GLA GAL GLC 0.447761 1
118 BGC BGC BGC BGC BGC BGC 0.447761 1
119 CE6 0.447761 1
120 CE5 0.447761 1
121 CE8 0.447761 1
122 BGC BGC BGC GLC 0.447761 1
123 BMA BMA MAN 0.447761 0.970588
124 BGC GLC GLC GLC GLC GLC GLC 0.447761 1
125 GLC GLC BGC GLC GLC GLC GLC 0.447761 1
126 MTT 0.447761 1
127 GLC BGC GLC 0.447761 1
128 BMA BMA BMA BMA BMA BMA 0.447761 1
129 GLC GLC XYS XYS 0.447368 0.914286
130 BMA BMA BMA BMA BMA BMA MAN 0.442857 0.970588
131 MAN BMA BMA BMA BMA BMA 0.442857 0.970588
132 GLA EGA 0.441176 0.942857
133 M13 0.439394 0.942857
134 T6P 0.439394 0.767442
135 GAL MBG 0.439394 0.942857
136 MDM 0.439394 0.942857
137 GAL BGC NAG GAL 0.439024 0.733333
138 BGC BGC 0.4375 1
139 2M4 0.4375 1
140 MAN MAN 0.4375 1
141 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.435897 0.611111
142 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.435897 0.611111
143 M5G 0.435644 0.6875
144 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.434783 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL 0.434783 0.942857
146 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.434783 0.942857
147 GAL BGC BGC BGC XYS XYS 0.434783 0.942857
148 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.434783 0.942857
149 WZ5 0.434783 0.702128
150 GLC GLC BGC XYS BGC XYS 0.433735 0.942857
151 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.432203 0.611111
152 NGB 0.43038 0.622642
153 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.423529 0.942857
154 BGC BGC BGC XYS BGC BGC 0.423529 0.942857
155 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.423529 0.942857
156 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.422222 0.916667
157 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.422222 0.916667
158 BGC BGC XYS BGC XYS GAL 0.422222 0.916667
159 TRE 0.421053 1
160 GAL BGC BGC XYS 0.419753 0.942857
161 SUC GLA 0.419753 0.891892
162 LAT GLA 0.415385 1
163 MAL EDO 0.414286 0.942857
164 FUC BGC GAL 0.413333 0.970588
165 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.413043 0.825
166 NAG GAL GAL NAG GAL 0.411765 0.6875
167 BMA MAN 0.411765 0.914286
168 MAN MAN MAN GLC 0.407895 1
169 AXR BXY BXY BXX 0.407407 0.789474
170 BGC BGC BGC XYS GAL 0.406977 0.942857
171 RGG 0.40625 0.882353
172 GAL FUC 0.405797 0.941176
173 U63 0.405797 0.891892
174 NAG NAG BMA MAN MAN MAN MAN 0.40566 0.634615
175 4CQ 0.405405 0.970588
176 WZ2 0.405063 0.868421
177 NAG MAN BMA 0.404762 0.733333
178 NAG MAN MAN 0.404762 0.733333
179 KDO MAN MAN MAN MAN MAN 0.403846 0.868421
180 NOJ BGC 0.402778 0.727273
181 DMJ MAN 0.402778 0.727273
182 GLA GAL FUC 0.4 0.970588
183 NAG GAL 0.4 0.733333
184 GLA GLA FUC 0.4 0.970588
185 FUC GAL GLA 0.4 0.970588
186 FUC GLA GLA 0.4 0.970588
187 GAL GAL FUC 0.4 0.970588
188 NGA GAL 0.4 0.733333
189 GAL NAG 0.4 0.733333
190 NOY BGC 0.4 0.75
Ligand no: 2; Ligand: GLC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 3; Ligand: ACR; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 QPS 1 1
2 ACR 1 1
3 3SA 0.931507 1
4 7SA 0.879518 0.957447
5 IAB 0.744444 1
6 AAO 0.730337 1
7 ARE 0.730337 1
8 ACG 0.722222 0.956522
9 ABC 0.639175 0.956522
10 ABD 0.595506 0.854167
11 ACR GLC 0.593407 0.956522
12 ACR GLC GLC GLC GLC 0.593407 0.956522
13 6SA 0.586538 1
14 QV4 0.578947 1
15 TXT 0.571429 0.87234
16 GAC 0.571429 0.87234
17 HSD G6D GLC HSD G6D GLC BGC 0.534653 0.916667
18 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.534653 0.916667
19 ACI G6D GLC ACI G6D GLC GLC 0.534653 0.916667
20 HSD G6D GLC HSD G6D GLC GLC 0.534653 0.916667
21 BGC GLC DAF GLC GLC GLC DAF 0.495413 0.897959
22 HMC AGL GLC 0.484211 0.93617
23 MLR 0.481013 0.733333
24 MAN MAN BMA BMA BMA BMA 0.481013 0.733333
25 MAN BMA BMA 0.481013 0.733333
26 BGC BGC BGC BGC BGC BGC 0.481013 0.733333
27 CTR 0.481013 0.733333
28 MAN BMA BMA BMA BMA 0.481013 0.733333
29 CE6 0.481013 0.733333
30 GLC GLC GLC GLC GLC 0.481013 0.733333
31 GLC BGC BGC BGC BGC BGC 0.481013 0.733333
32 CE8 0.481013 0.733333
33 CE5 0.481013 0.733333
34 DXI 0.481013 0.733333
35 GLA GAL GLC 0.481013 0.733333
36 BMA BMA BMA 0.481013 0.733333
37 BGC BGC BGC GLC 0.481013 0.733333
38 CTT 0.481013 0.733333
39 BGC GLC GLC GLC 0.481013 0.733333
40 GLC GAL GAL 0.481013 0.733333
41 BMA BMA BMA BMA BMA 0.481013 0.733333
42 MT7 0.481013 0.733333
43 B4G 0.481013 0.733333
44 BGC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
45 GLC BGC BGC BGC BGC 0.481013 0.733333
46 BGC GLC GLC GLC GLC 0.481013 0.733333
47 BMA MAN BMA 0.481013 0.733333
48 BMA BMA BMA BMA BMA BMA 0.481013 0.733333
49 GLC GLC BGC 0.481013 0.733333
50 BGC GLC GLC 0.481013 0.733333
51 CEX 0.481013 0.733333
52 GAL GAL GAL 0.481013 0.733333
53 GLC BGC BGC 0.481013 0.733333
54 GLC BGC GLC 0.481013 0.733333
55 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
56 GLC GLC BGC GLC GLC GLC GLC 0.481013 0.733333
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
58 CT3 0.481013 0.733333
59 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.481013 0.733333
60 GLC GLC GLC GLC GLC GLC GLC 0.481013 0.733333
61 CEY 0.481013 0.733333
62 MTT 0.481013 0.733333
63 ACR GLC GLC GLC 0.480769 0.956522
64 GLC GLC AGL HMC GLC 0.480769 0.956522
65 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.480769 0.895833
66 GLC GLC DAF BGC 0.480769 0.956522
67 GLC GLC ACI G6D GLC GLC 0.480769 0.956522
68 NGA GAL BGC 0.461538 0.836735
69 BMA BMA BMA BMA BMA BMA MAN 0.457831 0.717391
70 MAN BMA BMA BMA BMA BMA 0.457831 0.717391
71 AGL GLC HMC AGL GLC BGC 0.449541 0.895833
72 BGC BGC BGC BGC 0.448276 0.733333
73 BGC BGC BGC BGC BGC BGC BGC BGC 0.448276 0.733333
74 GLC AGL GLC HMC 0.447619 0.93617
75 GLC ACI GLD GAL 0.442308 0.956522
76 GLC ACI G6D GLC 0.442308 0.956522
77 GLC GLC GLC G6D ADH GLC 0.435185 0.897959
78 NGA GLA GAL BGC 0.434343 0.836735
79 LBT 0.43038 0.733333
80 BGC GLC 0.43038 0.733333
81 N9S 0.43038 0.733333
82 LAT 0.43038 0.733333
83 BGC GAL 0.43038 0.733333
84 GLC BGC 0.43038 0.733333
85 BGC BMA 0.43038 0.733333
86 MAB 0.43038 0.733333
87 GLA GAL 0.43038 0.733333
88 BMA BMA 0.43038 0.733333
89 GLC GAL 0.43038 0.733333
90 CBK 0.43038 0.733333
91 BMA GAL 0.43038 0.733333
92 GAL BGC 0.43038 0.733333
93 MAL MAL 0.43038 0.717391
94 MAL 0.43038 0.733333
95 GLA GLA 0.43038 0.733333
96 B2G 0.43038 0.733333
97 CBI 0.43038 0.733333
98 GAL GLC 0.43038 0.733333
99 ACI GLD GLC GAL 0.43 0.851064
100 DAF BGC GLC 0.43 0.851064
101 DAF GLC GLC 0.43 0.851064
102 BMA BMA GLA BMA BMA 0.423913 0.733333
103 BGC GAL FUC 0.422222 0.755556
104 GLC GAL FUC 0.422222 0.755556
105 FUC GAL GLC 0.422222 0.755556
106 LAT FUC 0.422222 0.755556
107 FUC LAT 0.422222 0.755556
108 GAL NGA GLA BGC GAL 0.415842 0.836735
109 GLC GLC G6D ACI GLC GLC GLC 0.415094 0.851064
110 GLC GLC GLC BGC 0.413043 0.733333
111 GLA GAL GAL 0.402299 0.733333
112 GLA GAL BGC 0.402299 0.733333
113 ACI GLD GLC ACI G6D BGC 0.401869 0.816327
114 ACI G6D GLC ACI G6D BGC 0.401869 0.816327
115 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.401869 0.816327
116 DAF GLC DAF GLC GLC 0.401869 0.816327
117 AC1 GLC AC1 BGC 0.401869 0.816327
118 BGC GLC AC1 GLC GLC GLC AC1 0.401869 0.816327
Ligand no: 4; Ligand: GLC GLC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 1 1
2 BGP 0.423077 0.707317
3 M6D 0.423077 0.707317
4 A6P 0.423077 0.707317
5 BG6 0.423077 0.707317
6 M6P 0.423077 0.707317
7 G6P 0.423077 0.707317
Ligand no: 5; Ligand: BGC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 6; Ligand: GLC GLC GLC; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC BGC 1 1
2 GLC GLC GLC 1 1
3 MAN MAN MAN 1 1
4 GLC GLC GLC GLC BGC 1 1
5 MLB 0.953488 1
6 MAN BMA 0.953488 1
7 GLA GLC 0.953488 1
8 BMA GLA 0.953488 1
9 BGC GLA 0.953488 1
10 LAK 0.953488 1
11 GAL GAL 0.953488 1
12 GLA BGC 0.953488 1
13 GLA BMA 0.953488 1
14 AHR AHR AHR 0.744681 0.857143
15 FUB AHR AHR 0.744681 0.857143
16 MAN MAN MAN MAN 0.736842 1
17 MAN MAN BMA MAN 0.736842 1
18 FUB AHR 0.717391 0.857143
19 AHR AHR 0.717391 0.857143
20 GLC GLC GLC GLC 0.684211 1
21 MAN MMA 0.666667 0.942857
22 GLC GLC GLC GLC GLC GLC 0.661017 1
23 GLC GLC GLC BGC 0.639344 1
24 M5S 0.612903 1
25 MAN BMA MAN MAN MAN 0.612903 1
26 MAN MAN MAN BMA MAN 0.58209 1
27 BMA BMA GLA BMA BMA 0.530303 1
28 MAN MMA MAN 0.52381 0.942857
29 FRU GLC GLA 0.523077 0.891892
30 RAF 0.523077 0.891892
31 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
32 NGB 0.492754 0.622642
33 GLA 0.488889 0.848485
34 BGC 0.488889 0.848485
35 MAN 0.488889 0.848485
36 ALL 0.488889 0.848485
37 GIV 0.488889 0.848485
38 BMA 0.488889 0.848485
39 GXL 0.488889 0.848485
40 GLC 0.488889 0.848485
41 WOO 0.488889 0.848485
42 GAL 0.488889 0.848485
43 SUC GLA 0.478873 0.891892
44 MAN H1M MAN 0.478261 0.868421
45 BMA BMA MAN 0.474576 0.970588
46 4CQ 0.46875 0.970588
47 WZ2 0.463768 0.868421
48 NAG MAN BMA 0.459459 0.733333
49 NAG MAN MAN 0.459459 0.733333
50 GAL GLC 0.45614 1
51 BGC GLC 0.45614 1
52 CBI 0.45614 1
53 MAL 0.45614 1
54 LAT 0.45614 1
55 LBT 0.45614 1
56 BGC GAL 0.45614 1
57 N9S 0.45614 1
58 B2G 0.45614 1
59 MAL MAL 0.45614 0.970588
60 MAB 0.45614 1
61 BMA GAL 0.45614 1
62 GAL BGC 0.45614 1
63 GLC BGC 0.45614 1
64 GLA GAL 0.45614 1
65 CBK 0.45614 1
66 GLC GAL 0.45614 1
67 BGC BMA 0.45614 1
68 GLA GLA 0.45614 1
69 BMA BMA 0.45614 1
70 RGG 0.454545 0.882353
71 WZ3 0.450704 0.916667
72 DEG 0.446429 0.769231
73 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
74 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
75 DMJ MAN 0.444444 0.727273
76 BMA BMA BMA BMA BMA BMA MAN 0.444444 0.970588
77 MAN BMA BMA BMA BMA BMA 0.444444 0.970588
78 NAG BMA MAN MAN MAN MAN 0.444444 0.733333
79 NOJ BGC 0.444444 0.727273
80 GLC BGC BGC BGC XYS BGC XYS XYS 0.4375 0.916667
81 IFM MAN 0.4375 0.744186
82 M6D 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 M6P 0.433962 0.674419
86 A6P 0.433962 0.674419
87 BGP 0.433962 0.674419
88 DGD 0.433735 0.733333
89 LB2 0.431034 1
90 MAN GLC 0.431034 1
91 M3M 0.431034 1
92 EBQ 0.431034 0.837838
93 EBG 0.431034 0.837838
94 BGC BGC XYS BGC 0.426667 0.942857
95 CT3 0.42623 1
96 MLR 0.42623 1
97 GLC GLC BGC GLC GLC GLC GLC 0.42623 1
98 CEY 0.42623 1
99 GLC BGC GLC 0.42623 1
100 GLC GAL GAL 0.42623 1
101 GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
102 GLC GLC BGC 0.42623 1
103 GLC GLC GLC GLC GLC GLC GLC 0.42623 1
104 BGC GLC GLC GLC GLC 0.42623 1
105 MAN MAN BMA BMA BMA BMA 0.42623 1
106 B4G 0.42623 1
107 MAN BMA BMA BMA BMA 0.42623 1
108 CEX 0.42623 1
109 BMA BMA BMA BMA BMA 0.42623 1
110 DXI 0.42623 1
111 GLC BGC BGC BGC BGC BGC 0.42623 1
112 CTT 0.42623 1
113 CTR 0.42623 1
114 BMA BMA BMA 0.42623 1
115 GLC GLC GLC GLC GLC 0.42623 1
116 BGC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 MAN BMA BMA 0.42623 1
119 MTT 0.42623 1
120 BMA BMA BMA BMA BMA BMA 0.42623 1
121 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
122 CE5 0.42623 1
123 BMA MAN BMA 0.42623 1
124 BGC GLC GLC GLC 0.42623 1
125 GLA GAL GLC 0.42623 1
126 GAL GAL GAL 0.42623 1
127 CE6 0.42623 1
128 GLC BGC BGC BGC BGC 0.42623 1
129 BGC BGC BGC BGC BGC BGC 0.42623 1
130 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
131 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
132 MT7 0.42623 1
133 BGC BGC BGC GLC 0.42623 1
134 CE8 0.42623 1
135 HEX GLC 0.423729 0.714286
136 BHG 0.423729 0.714286
137 GLC HEX 0.423729 0.714286
138 JZR 0.423729 0.714286
139 TRE 0.42 1
140 WZ5 0.418605 0.702128
141 GAL GAL SO4 0.41791 0.702128
142 KGM 0.416667 0.738095
143 B7G 0.416667 0.738095
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
145 BGC BGC 0.413793 1
146 2M4 0.413793 1
147 MAN MAN 0.413793 1
148 MMA 0.411765 0.857143
149 AMG 0.411765 0.857143
150 MBG 0.411765 0.857143
151 GYP 0.411765 0.857143
152 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
155 SER MAN 0.409836 0.775
156 BOG 0.409836 0.738095
157 BNG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 GLC GLC XYS XYS 0.408451 0.914286
160 GL1 0.407407 0.697674
161 M1P 0.407407 0.697674
162 XGP 0.407407 0.697674
163 G1P 0.407407 0.697674
164 6SA 0.40625 0.733333
165 AXR BXY BXY BXX 0.405405 0.789474
166 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
167 GAL FUC 0.403226 0.941176
168 GAL BGC NAG GAL 0.402597 0.733333
169 GAL BGC BGC XYS 0.4 0.942857
Ligand no: 7; Ligand: GLC GLC GLC BGC; Similar ligands found: 245
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC BGC 1 1
2 BMA BMA GLA BMA BMA 0.825397 1
3 GLC GLC GLC GLC GLC GLC 0.777778 1
4 MAN BMA BMA 0.741379 1
5 MT7 0.741379 1
6 GLC BGC GLC 0.741379 1
7 GLA GAL GLC 0.741379 1
8 CT3 0.741379 1
9 GLC GLC BGC GLC GLC GLC GLC 0.741379 1
10 BMA MAN BMA 0.741379 1
11 CE6 0.741379 1
12 BGC GLC GLC GLC GLC GLC GLC 0.741379 1
13 GLC GLC GLC GLC GLC 0.741379 1
14 CE5 0.741379 1
15 MTT 0.741379 1
16 BGC BGC BGC GLC 0.741379 1
17 CTR 0.741379 1
18 GLC BGC BGC BGC BGC 0.741379 1
19 BGC GLC GLC GLC 0.741379 1
20 CTT 0.741379 1
21 DXI 0.741379 1
22 BMA BMA BMA 0.741379 1
23 GLC BGC BGC BGC BGC BGC 0.741379 1
24 MLR 0.741379 1
25 BMA BMA BMA BMA BMA BMA 0.741379 1
26 GLC GLC GLC GLC GLC GLC GLC GLC 0.741379 1
27 MAN MAN BMA BMA BMA BMA 0.741379 1
28 CEY 0.741379 1
29 BGC GLC GLC GLC GLC 0.741379 1
30 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.741379 1
31 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.741379 1
32 BMA BMA BMA BMA BMA 0.741379 1
33 CEX 0.741379 1
34 CE8 0.741379 1
35 GAL GAL GAL 0.741379 1
36 BGC BGC BGC BGC BGC BGC 0.741379 1
37 GLC GAL GAL 0.741379 1
38 BGC GLC GLC 0.741379 1
39 MAN BMA BMA BMA BMA 0.741379 1
40 GLC GLC GLC GLC GLC GLC GLC 0.741379 1
41 B4G 0.741379 1
42 GLC BGC BGC 0.741379 1
43 GLC GLC BGC 0.741379 1
44 MAN BMA BMA BMA BMA BMA 0.721311 0.970588
45 BMA BMA BMA BMA BMA BMA MAN 0.721311 0.970588
46 BGC BGC XYS BGC 0.704225 0.942857
47 MAB 0.672414 1
48 CBI 0.672414 1
49 BGC BMA 0.672414 1
50 GLA GLA 0.672414 1
51 MAL 0.672414 1
52 CBK 0.672414 1
53 BGC GAL 0.672414 1
54 GAL GLC 0.672414 1
55 BMA BMA 0.672414 1
56 LBT 0.672414 1
57 LAT 0.672414 1
58 MAL MAL 0.672414 0.970588
59 N9S 0.672414 1
60 GLC BGC 0.672414 1
61 BMA GAL 0.672414 1
62 BGC GLC 0.672414 1
63 GAL BGC 0.672414 1
64 GLA GAL 0.672414 1
65 GLC GAL 0.672414 1
66 B2G 0.672414 1
67 GLC GLC GLC GLC 0.666667 1
68 BGC BGC BGC BGC 0.641791 1
69 BGC BGC BGC BGC BGC BGC BGC BGC 0.641791 1
70 MAN MAN MAN 0.639344 1
71 GLC GLC GLC 0.639344 1
72 GLC GLC GLC GLC GLC BGC 0.639344 1
73 GLC GLC GLC GLC BGC 0.639344 1
74 MAN BMA 0.633333 1
75 LAK 0.633333 1
76 GLA BMA 0.633333 1
77 BGC GLA 0.633333 1
78 GLA BGC 0.633333 1
79 MLB 0.633333 1
80 GAL GAL 0.633333 1
81 BMA GLA 0.633333 1
82 GLA GLC 0.633333 1
83 GLC BGC BGC BGC XYS BGC XYS XYS 0.632911 0.916667
84 BGC BGC BGC XYS BGC XYS XYS 0.631579 0.942857
85 BGC BGC XYS BGC XYS BGC XYS 0.631579 0.942857
86 GLC BGC BGC XYS BGC XYS XYS 0.631579 0.942857
87 BGC BGC BGC XYS BGC BGC 0.623377 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.623377 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.623377 0.942857
90 GLC GLC BGC XYS BGC XYS 0.597403 0.942857
91 MAN MAN MAN MAN 0.591549 1
92 MAN MAN BMA MAN 0.591549 1
93 GLA GAL GAL 0.58209 1
94 GLA GAL BGC 0.58209 1
95 GAL BGC BGC BGC XYS XYS 0.581395 0.942857
96 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.581395 0.942857
97 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.581395 0.942857
98 GLC BGC BGC XYS BGC XYS XYS GAL 0.581395 0.942857
99 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.581395 0.942857
100 LAT GLA 0.57377 1
101 BGC BGC GLC 0.567164 1
102 BGC BGC BGC XYS GAL 0.5625 0.942857
103 M5S 0.561644 1
104 MAN BMA MAN MAN MAN 0.561644 1
105 AHR AHR AHR 0.548387 0.857143
106 FUB AHR AHR 0.548387 0.857143
107 GLA EGA 0.545455 0.942857
108 GAL BGC NAG GAL 0.544304 0.733333
109 NGA GAL BGC 0.539474 0.733333
110 ABD 0.536585 0.75
111 GAL BGC BGC BGC XYS BGC XYS 0.534884 0.942857
112 BGC BGC BGC XYS BGC XYS GAL 0.534884 0.942857
113 GLA GAL BGC 5VQ 0.528571 0.891892
114 GLC GLC FRU 0.525641 0.868421
115 AHR AHR 0.52459 0.857143
116 FUB AHR 0.52459 0.857143
117 MAN MMA 0.523077 0.942857
118 GLC GLC XYS XYS 0.52 0.914286
119 MAL EDO 0.514706 0.942857
120 GAL NGA GLA BGC GAL 0.511905 0.733333
121 MAN MMA MAN 0.506849 0.942857
122 GLA GAL GLC NBU 0.506849 0.846154
123 GAL BGC BGC XYS 0.506329 0.942857
124 NAG BMA MAN MAN MAN MAN 0.505747 0.733333
125 MMA MAN 0.5 0.942857
126 MAN MAN MAN BMA MAN 0.5 1
127 DR5 0.5 0.942857
128 GLC GLC XYP 0.493333 1
129 6SA 0.49 0.733333
130 NAG NAG BMA MAN MAN 0.48913 0.6875
131 MAN MAN NAG MAN NAG 0.48913 0.6875
132 G2F BGC BGC BGC BGC BGC 0.486486 0.868421
133 BMA BMA BMA BMA GLA BMA GLA 0.483871 0.846154
134 NGA GLA GAL BGC 0.482353 0.733333
135 FUC LAT 0.473684 0.970588
136 BGC GAL FUC 0.473684 0.970588
137 GLC GAL FUC 0.473684 0.970588
138 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.473684 0.733333
139 FUC GAL GLC 0.473684 0.970588
140 LAT FUC 0.473684 0.970588
141 GLC GLC G6D ACI GLC GLC GLC 0.472527 0.785714
142 GLC GAL NAG GAL 0.470588 0.733333
143 MAN H1M MAN 0.468354 0.868421
144 GLC GLC DAF BGC 0.468085 0.733333
145 ACR GLC GLC GLC 0.468085 0.733333
146 GLC GLC ACI G6D GLC GLC 0.468085 0.733333
147 GLC GLC AGL HMC GLC 0.468085 0.733333
148 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.466667 0.916667
149 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.466667 0.916667
150 BGC BGC XYS BGC XYS GAL 0.466667 0.916667
151 GAL NAG GAL BGC 0.464286 0.733333
152 LAT NAG GAL 0.464286 0.733333
153 BGC GAL NAG GAL 0.464286 0.733333
154 BMA BMA MAN 0.463768 0.970588
155 U63 0.463768 0.891892
156 BGC GLA GAL FUC 0.463415 0.970588
157 DEL 0.457143 0.970588
158 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.456522 0.6875
159 1GN ACY GAL ACY 1GN BGC GAL BGC 0.456522 0.6875
160 DMU 0.454545 0.785714
161 G3I 0.454545 0.767442
162 LMU 0.454545 0.785714
163 UMQ 0.454545 0.785714
164 LMT 0.454545 0.785714
165 G2I 0.454545 0.767442
166 OXZ BGC BGC 0.454545 0.6875
167 IAB 0.453608 0.733333
168 AAO 0.452632 0.733333
169 ARE 0.452632 0.733333
170 BMA NGT MAN MAN 0.450549 0.66
171 FRU GLC GLA 0.448718 0.891892
172 RAF 0.448718 0.891892
173 GLC GLC GLC G6D ADH GLC 0.447917 0.6875
174 LB2 0.447761 1
175 M3M 0.447761 1
176 MAN GLC 0.447761 1
177 GLC GLC GLC PO4 SGC GLC 0.445652 0.673469
178 WZ3 0.444444 0.916667
179 MAN MAN MAN BMA MAN MAN MAN 0.444444 0.942857
180 GLC GLC XYS 0.443038 0.970588
181 GAL FUC 0.442857 0.941176
182 GAL GAL GLC EMB MEC 0.442105 0.622642
183 BGC BGC G2F SHG 0.440476 0.846154
184 SGA BGC 0.438356 0.702128
185 MVP 0.438356 0.733333
186 6UZ 0.4375 0.846154
187 LAG 0.4375 0.6
188 SOR GLC GLC GLC 0.4375 0.970588
189 NBG BGC BGC XYS BGC XYS XYS 0.434783 0.702128
190 GAL GAL SO4 0.434211 0.702128
191 2M4 0.432836 1
192 BGC BGC 0.432836 1
193 MAN MAN 0.432836 1
194 M5G 0.432692 0.6875
195 GLC AGL GLC HMC 0.431579 0.717391
196 GLC ACI G6D BGC 0.428571 0.785714
197 GLC G6D ADH GLC 0.428571 0.785714
198 GLC ACI GLD GLC 0.428571 0.785714
199 GLC G6D ACI GLC 0.428571 0.785714
200 NAG MAN GAL MAN MAN NAG GAL 0.427083 0.6875
201 ACI GLD GLC GAL 0.426966 0.785714
202 TXT 0.426966 0.767442
203 GAC 0.426966 0.767442
204 DAF BGC GLC 0.426966 0.785714
205 DAF GLC GLC 0.426966 0.785714
206 GAL NDG 0.426667 0.733333
207 5GO 0.426667 0.66
208 NLC 0.426667 0.733333
209 NDG GAL 0.426667 0.733333
210 GLC ACI G6D GLC 0.425532 0.733333
211 QV4 0.425532 0.733333
212 GLC ACI GLD GAL 0.425532 0.733333
213 NAG GAL BGC 0.423529 0.733333
214 LSE 0.419753 0.6875
215 BGC BGC BGC BGC BGC 0.416667 1
216 GLC BGC BGC BGC 0.416667 1
217 SUC GLA 0.416667 0.891892
218 BGC BGC BGC 0.416667 1
219 GLC BGC BGC BGC BGC BGC BGC 0.416667 1
220 RCB 0.416667 0.622642
221 BGC BGC BGC ASO BGC BGC ASO 0.416667 1
222 BGC BGC BGC GLC BGC BGC 0.416667 1
223 BMA MAN MAN 0.413333 1
224 QPS 0.413043 0.733333
225 ACR 0.413043 0.733333
226 SOR GLC GLC 0.4125 0.970588
227 CM5 0.411765 0.891892
228 4MU BGC BGC BGC BGC 0.411111 0.767442
229 FUC BGC GAL 0.410256 0.970588
230 NGB 0.409639 0.622642
231 BMA MAN 0.408451 0.914286
232 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.408163 0.680851
233 MA4 0.406977 0.891892
234 GLO GLC GLC GLC 0.406977 0.942857
235 NAG NAG BMA MAN MAN MAN MAN 0.40367 0.634615
236 NAG MAN MAN 0.402299 0.733333
237 NAG MAN BMA 0.402299 0.733333
238 ACR GLC GLC GLC GLC 0.402174 0.733333
239 ACR GLC 0.402174 0.733333
240 NAG MAN MAN MAN NAG GAL NAG GAL 0.401961 0.673469
241 MAN BMA NAG NAG MAN NAG GAL GAL 0.401961 0.673469
242 NAG MAN GAL BMA NAG MAN NAG GAL 0.401961 0.673469
243 NAG MAN GAL BMA NDG MAN NAG GAL 0.401961 0.673469
244 P3M 0.4 0.767442
245 4MU BGC BGC 0.4 0.767442
Ligand no: 8; Ligand: GLC GLC GLC GLC GLC; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL GLC 1 1
2 GLC GAL GAL 1 1
3 MAN MAN BMA BMA BMA BMA 1 1
4 CEX 1 1
5 MAN BMA BMA 1 1
6 CT3 1 1
7 MTT 1 1
8 BGC GLC GLC GLC 1 1
9 BGC BGC BGC GLC 1 1
10 GLC BGC GLC 1 1
11 CE8 1 1
12 MLR 1 1
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
14 GAL GAL GAL 1 1
15 BGC GLC GLC GLC GLC GLC GLC 1 1
16 MT7 1 1
17 GLC BGC BGC 1 1
18 CEY 1 1
19 BMA BMA BMA 1 1
20 GLC BGC BGC BGC BGC BGC 1 1
21 MAN BMA BMA BMA BMA 1 1
22 GLC GLC BGC GLC GLC GLC GLC 1 1
23 B4G 1 1
24 BGC GLC GLC 1 1
25 GLC GLC BGC 1 1
26 GLC GLC GLC GLC GLC GLC GLC 1 1
27 DXI 1 1
28 GLC BGC BGC BGC BGC 1 1
29 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
30 GLC GLC GLC GLC GLC 1 1
31 CTT 1 1
32 BMA BMA BMA BMA BMA 1 1
33 BMA BMA BMA BMA BMA BMA 1 1
34 BGC GLC GLC GLC GLC 1 1
35 BMA MAN BMA 1 1
36 CE5 1 1
37 CTR 1 1
38 CE6 1 1
39 BGC BGC BGC BGC BGC BGC 1 1
40 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
41 BMA BMA BMA BMA BMA BMA MAN 0.916667 0.970588
42 MAN BMA BMA BMA BMA BMA 0.916667 0.970588
43 BGC BMA 0.909091 1
44 LBT 0.909091 1
45 LAT 0.909091 1
46 GLC BGC 0.909091 1
47 GAL GLC 0.909091 1
48 BGC GAL 0.909091 1
49 MAB 0.909091 1
50 GLA GLA 0.909091 1
51 BMA GAL 0.909091 1
52 B2G 0.909091 1
53 N9S 0.909091 1
54 BGC GLC 0.909091 1
55 CBK 0.909091 1
56 GLA GAL 0.909091 1
57 BMA BMA 0.909091 1
58 GLC GAL 0.909091 1
59 CBI 0.909091 1
60 GAL BGC 0.909091 1
61 MAL MAL 0.909091 0.970588
62 MAL 0.909091 1
63 BGC BGC BGC BGC 0.830189 1
64 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
65 LAT GLA 0.765957 1
66 BMA BMA GLA BMA BMA 0.758621 1
67 GLA GAL GAL 0.754717 1
68 GLA GAL BGC 0.754717 1
69 GLC GLC GLC BGC 0.741379 1
70 BGC BGC GLC 0.735849 1
71 GLC GLC GLC GLC GLC GLC 0.677966 1
72 DR5 0.653846 0.942857
73 MMA MAN 0.653846 0.942857
74 NGA GAL BGC 0.650794 0.733333
75 GLA EGA 0.648148 0.942857
76 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
77 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
78 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
79 ABD 0.637681 0.75
80 GAL NGA GLA BGC GAL 0.628571 0.733333
81 GLC GLC XYP 0.622951 1
82 GLA GAL BGC 5VQ 0.62069 0.891892
83 GLC GLC BGC XYS BGC XYS 0.617647 0.942857
84 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
85 BGC BGC XYS BGC 0.61194 0.942857
86 MAL EDO 0.607143 0.942857
87 U63 0.6 0.891892
88 BGC BGC BGC XYS GAL 0.6 0.942857
89 NGA GLA GAL BGC 0.591549 0.733333
90 GLA GAL GLC NBU 0.590164 0.846154
91 M3M 0.584906 1
92 MAN GLC 0.584906 1
93 LB2 0.584906 1
94 GLC GAL NAG GAL 0.577465 0.733333
95 BGC GLA GAL FUC 0.573529 0.970588
96 OXZ BGC BGC 0.571429 0.6875
97 GAL FUC 0.571429 0.941176
98 GAL NAG GAL BGC 0.571429 0.733333
99 G2I 0.571429 0.767442
100 BGC GAL FUC 0.571429 0.970588
101 BMA BMA MAN 0.571429 0.970588
102 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.785714
103 GLC GAL FUC 0.571429 0.970588
104 G3I 0.571429 0.767442
105 FUC LAT 0.571429 0.970588
106 BGC GAL NAG GAL 0.571429 0.733333
107 LAT FUC 0.571429 0.970588
108 FUC GAL GLC 0.571429 0.970588
109 LAT NAG GAL 0.571429 0.733333
110 2M4 0.566038 1
111 MAN MAN 0.566038 1
112 BGC BGC 0.566038 1
113 SGA BGC 0.559322 0.702128
114 GLC GLC XYS 0.553846 0.970588
115 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
116 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
117 SOR GLC GLC GLC 0.545455 0.970588
118 LAG 0.545455 0.6
119 ACR GLC GLC GLC 0.54321 0.733333
120 ARE 0.54321 0.733333
121 GLC GLC DAF BGC 0.54321 0.733333
122 GLC GLC ACI G6D GLC GLC 0.54321 0.733333
123 GLC GLC AGL HMC GLC 0.54321 0.733333
124 AAO 0.54321 0.733333
125 BGC BGC G2F SHG 0.542857 0.846154
126 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
127 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
128 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
129 NLC 0.540984 0.733333
130 5GO 0.540984 0.66
131 GAL NDG 0.540984 0.733333
132 NDG GAL 0.540984 0.733333
133 GLC GLC GLC G6D ADH GLC 0.536585 0.6875
134 GLC GLC FRU 0.536232 0.868421
135 GAL BGC BGC XYS 0.536232 0.942857
136 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
137 GLC BGC BGC BGC 0.534483 1
138 DEL 0.534483 0.970588
139 BGC BGC BGC 0.534483 1
140 BGC BGC BGC BGC BGC 0.534483 1
141 BGC BGC BGC GLC BGC BGC 0.534483 1
142 BGC BGC BGC ASO BGC BGC ASO 0.534483 1
143 MVP 0.533333 0.733333
144 TRE 0.531915 1
145 GLC BGC BGC BGC XYS BGC XYS XYS 0.526316 0.916667
146 BMA MAN 0.526316 0.914286
147 BMA MAN MAN 0.52459 1
148 DMU 0.523077 0.785714
149 LMT 0.523077 0.785714
150 LMU 0.523077 0.785714
151 UMQ 0.523077 0.785714
152 NAG GAL BGC 0.521127 0.733333
153 GLC ACI GLD GLC 0.519481 0.785714
154 GLC G6D ACI GLC 0.519481 0.785714
155 GLC G6D ADH GLC 0.519481 0.785714
156 GLC ACI G6D BGC 0.519481 0.785714
157 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
158 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
159 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
160 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
161 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
162 FUC BGC GAL 0.515625 0.970588
163 SOR GLC GLC 0.515152 0.970588
164 RCB 0.514286 0.622642
165 GAL BGC NAG GAL 0.513889 0.733333
166 GAL GAL GLC EMB MEC 0.512195 0.622642
167 GLA MBG 0.509091 0.942857
168 6UZ 0.5 0.846154
169 GAC 0.5 0.767442
170 ACI GLD GLC GAL 0.5 0.785714
171 GLC AGL GLC HMC 0.5 0.717391
172 GAL GAL SO4 0.5 0.702128
173 GLO GLC GLC GLC 0.5 0.942857
174 DAF GLC GLC 0.5 0.785714
175 TXT 0.5 0.767442
176 MAN MAN BMA 0.5 1
177 DAF BGC GLC 0.5 0.785714
178 GLC GLC GLC PO4 SGC GLC 0.5 0.673469
179 GLC ACI GLD GAL 0.493827 0.733333
180 QV4 0.493827 0.733333
181 GLC ACI G6D GLC 0.493827 0.733333
182 NPJ 0.485714 0.622642
183 ACR 0.481013 0.733333
184 QPS 0.481013 0.733333
185 4MU BGC BGC BGC BGC 0.480519 0.767442
186 GAL NAG MAN 0.478873 0.733333
187 MAN NAG GAL 0.478873 0.733333
188 DOM 0.474576 0.942857
189 GLO GLC GLC 0.472222 0.942857
190 MAN BMA NAG 0.471429 0.733333
191 10M 0.471429 0.733333
192 GLA GAL NAG 0.471429 0.733333
193 NAG GAL GAL 0.471429 0.733333
194 8VZ 0.46875 0.673469
195 ACR GLC 0.468354 0.733333
196 ACR GLC GLC GLC GLC 0.468354 0.733333
197 FMO 0.467742 0.868421
198 4MU BGC BGC 0.467532 0.767442
199 MGL SGC GLC GLC 0.465753 0.868421
200 CM5 0.465753 0.891892
201 BGC BGC SGC MGL 0.465753 0.868421
202 NAG GAL GAL NAG GAL 0.460526 0.6875
203 CGC 0.460317 0.941176
204 MA4 0.459459 0.891892
205 5QP 0.459016 0.885714
206 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.75
207 ACI G6D GLC ACI G6D BGC 0.457831 0.75
208 ACI GLD GLC ACI G6D BGC 0.457831 0.75
209 AC1 GLC AC1 BGC 0.457831 0.75
210 DAF GLC DAF GLC GLC 0.457831 0.75
211 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.75
212 GAL MBG 0.457627 0.942857
213 RZM 0.457627 0.688889
214 M13 0.457627 0.942857
215 MDM 0.457627 0.942857
216 LSE 0.457143 0.6875
217 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
218 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.680851
219 MAN MNM 0.451613 0.75
220 GTM BGC BGC 0.450704 0.868421
221 MAN MAN MAN MAN 0.449275 1
222 MAN MAN BMA MAN 0.449275 1
223 ACG 0.448276 0.695652
224 GLC GLC GLC GLC 0.447761 1
225 NAG BMA 0.447761 0.653061
226 FUC GAL NAG GAL BGC 0.447059 0.717391
227 GAL A2G 0.446154 0.733333
228 GAL NGA 0.446154 0.733333
229 A2G GAL 0.446154 0.733333
230 NOJ GLC 0.444444 0.727273
231 MAN BMA MAN MAN MAN 0.442857 1
232 M5S 0.442857 1
233 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
234 NAG GAL GAL NAG 0.441558 0.6875
235 MAN MAN MAN GLC 0.441176 1
236 GLA GLC 0.440678 1
237 LAK 0.440678 1
238 MLB 0.440678 1
239 BMA GLA 0.440678 1
240 GLA BMA 0.440678 1
241 BGC GLA 0.440678 1
242 MAN BMA 0.440678 1
243 GLA BGC 0.440678 1
244 GAL GAL 0.440678 1
245 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
246 TM6 0.438356 0.916667
247 ABL 0.4375 0.702128
248 BMA FRU 0.435484 0.842105
249 FRU GAL 0.435484 0.842105
250 NOY BGC 0.435484 0.75
251 DAF GLC 0.434211 0.785714
252 DAF BGC 0.434211 0.785714
253 FUC GAL GLA 0.432836 0.970588
254 FUC GLA GLA 0.432836 0.970588
255 GAL GAL FUC 0.432836 0.970588
256 GLA GLA FUC 0.432836 0.970588
257 GLA GAL FUC 0.432836 0.970588
258 A2G GAL BGC FUC 0.428571 0.717391
259 BGC OXZ 0.428571 0.666667
260 ISX 0.428571 0.761905
261 BMA IFM 0.428571 0.744186
262 IFM BGC 0.428571 0.744186
263 VAM 0.428571 0.868421
264 9MR 0.428571 0.744186
265 IFM BMA 0.428571 0.744186
266 GLF B8D 0.428571 0.775
267 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
268 7SA 0.426966 0.702128
269 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
270 MAN MAN MAN BMA MAN 0.426667 1
271 GLC GLC GLC 0.42623 1
272 GLC GLC GLC GLC BGC 0.42623 1
273 GLC GLC GLC GLC GLC BGC 0.42623 1
274 MAN MAN MAN 0.42623 1
275 GLC GLC XYS XYS 0.422535 0.914286
276 GLC DMJ 0.421875 0.727273
277 BMA BMA BMA BMA GLA BMA GLA 0.420455 0.846154
278 GCS GCS 0.419355 0.804878
279 PA1 GCS 0.419355 0.804878
280 3SA 0.417722 0.733333
281 HMC AGL GLC 0.417722 0.717391
282 BGC 0.416667 0.848485
283 GLC 0.416667 0.848485
284 GLA 0.416667 0.848485
285 XZZ BGC BGC 0.416667 0.702128
286 6SA 0.416667 0.733333
287 GIV 0.416667 0.848485
288 GXL 0.416667 0.848485
289 BMA 0.416667 0.848485
290 ALL 0.416667 0.848485
291 WOO 0.416667 0.848485
292 MAN 0.416667 0.848485
293 GAL 0.416667 0.848485
294 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.702128
295 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.702128
296 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.702128
297 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.702128
298 GAL NAG GAL 0.415584 0.702128
299 GCS GCS GCS GCS GCS GCS 0.415385 0.804878
300 GCS GCS GCS 0.415385 0.804878
301 GCS GCS GCS GCS GCS 0.415385 0.804878
302 P3M 0.414286 0.767442
303 MAN DGO 0.412698 0.914286
304 NAG NDG BMA 0.410256 0.634615
305 NAG NAG BMA 0.410256 0.634615
306 T6P 0.409836 0.767442
307 NAG MAN GAL MAN MAN NAG GAL 0.409091 0.6875
308 FUC BGC GAL NAG GAL 0.409091 0.717391
309 AMG 0.403846 0.857143
310 MBG 0.403846 0.857143
311 GYP 0.403846 0.857143
312 MMA 0.403846 0.857143
313 MAN 7D1 0.403226 0.888889
314 GAL MGC 0.402985 0.702128
315 GAL NGA A2G 0.402778 0.673469
316 MGL SGC BGC BGC 0.402299 0.622642
317 AGL GLC HMC AGL GLC BGC 0.402174 0.680851
318 FUC NDG GAL 0.4 0.717391
319 BGC BGC XYS BGC XYS GAL 0.4 0.916667
320 A2G GAL NAG FUC GAL GLC 0.4 0.673469
321 MBG A2G 0.4 0.702128
322 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.4 0.916667
323 GLC GAL NAG GAL FUC A2G 0.4 0.673469
324 AHR 0.4 0.742857
325 FUB 0.4 0.742857
326 A2G MBG 0.4 0.702128
327 RIB 0.4 0.742857
328 GAL NAG FUC 0.4 0.717391
329 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.4 0.916667
330 GAL NDG FUC 0.4 0.717391
331 32O 0.4 0.742857
332 FUC NAG GAL 0.4 0.717391
333 Z6J 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5X7Q; Ligand: ACR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5x7q.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5X7Q; Ligand: GLC; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 5x7q.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AYE BMA BMA 0.01297 0.41258 5.07463
2 5AWQ GLC GLC 0.0000008526 0.59736 9.5082
3 4QB6 GCU XYP 0.00107 0.44834 39.0244
4 5F7U GLC GLC 0.0007641 0.44316 41.1101
5 2W47 UNF 0.0002844 0.50128 48.6111
Pocket No.: 3; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC BGC; Similar sites found: 12
This union binding pocket(no: 3) in the query (biounit: 5x7q.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ERM 210 0.02739 0.40333 2.47934
2 4FFG 0U8 0.042 0.40004 3.65854
3 5CDH TLA 0.02222 0.40221 3.86905
4 2JIG PD2 0.01647 0.40722 4.91071
5 2B1Q TRE 0.02203 0.40509 5.7377
6 4WVW SLT 0.01544 0.42468 6.94444
7 5LY2 OGA 0.02298 0.40762 7.87402
8 1Y2F WAI 0.02718 0.40871 11.5108
9 1O4T OXL 0.01371 0.40625 18.797
10 2BOS GLA GAL GLC 0.009924 0.41421 20.5882
11 2BOS GLA GAL 0.01129 0.40736 20.5882
12 5FUI APY 0.01703 0.40731 35.6061
Pocket No.: 4; Query (leader) PDB : 5X7Q; Ligand: BGC; Similar sites found: 17
This union binding pocket(no: 4) in the query (biounit: 5x7q.bio1) has 52 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5M12 7D0 0.01175 0.43964 2.26087
2 3ANY 2A3 0.01235 0.45311 3.04183
3 4NZF ARB 0.02079 0.43852 3.34821
4 4RW3 IPD 0.03748 0.42009 3.64238
5 4FFG LBS 0.016 0.42215 3.65854
6 5D6T NGA 0.006812 0.47686 4.41176
7 4MJ0 SIA SIA GAL 0.03598 0.42337 5.09091
8 4MJ0 BGC SIA SIA GAL 0.04062 0.42044 5.09091
9 4AMW 5DI 0.000001244 0.68078 11.1003
10 5DKY NOJ 0.000008848 0.58227 24.2902
11 5I0F GLC GLC 0.0002971 0.50263 26.0573
12 5H9O GLC 0.000007643 0.60619 26.9545
13 3L4U DSK 0.00004009 0.53412 28.2286
14 2F2H XTG 0.0005628 0.47701 29.8836
15 5AEE NSQ 0.0007274 0.49288 34.4023
16 4B9Z ACR 0.00000137 0.62203 37.4541
17 5F7U GLC GLC GLC 0.00007168 0.54328 41.1101
Pocket No.: 5; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC GLC GLC; Similar sites found: 70
This union binding pocket(no: 5) in the query (biounit: 5x7q.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PS9 FAD 0.02514 0.40752 1.49031
2 1OJK GLC BGC 0.007792 0.42195 1.99005
3 4FHD EEM 0.01971 0.42514 2.17391
4 4FHD 0TT 0.01971 0.42514 2.17391
5 2AXR ABL 0.001193 0.42287 2.18688
6 5H2D ERG 0.01357 0.42325 2.29885
7 4USF 6UI 0.02611 0.40753 2.30263
8 4P25 FUC GAL NAG FUC 0.01503 0.40107 2.31788
9 5FL5 82E 0.0145 0.40445 2.33463
10 1IID NHM 0.03779 0.40928 2.36967
11 4KYS VIB 0.002357 0.44931 3.27869
12 1ERB ETR 0.03037 0.40688 3.27869
13 1C9K 5GP 0.01162 0.40519 3.33333
14 4DE9 VTP 0.03144 0.40535 3.4965
15 5MJA 7O3 0.009388 0.42722 3.60656
16 2A1L PCW 0.003605 0.46634 3.7037
17 5J75 6GQ 0.02096 0.40448 3.78788
18 4OCJ NDG 0.04115 0.41686 4.22164
19 4G7A AZM 0.0006685 0.46772 4.43548
20 5UR1 YY9 0.02865 0.41314 4.50161
21 4PSB GA3 0.03203 0.41386 4.51613
22 1ODM ASV 0.003304 0.45074 4.53172
23 5NFB 8VT 0.002624 0.4208 4.54545
24 1Y0G 8PP 0.01111 0.44546 4.71204
25 2V95 HCY 0.006972 0.41828 4.85175
26 3ACL 3F1 0.001336 0.45624 5.40541
27 3E8T UQ8 0.04361 0.40753 5.45455
28 3THR C2F 0.02617 0.40188 5.46075
29 1LN1 DLP 0.003404 0.47119 5.60748
30 5A3T MMK 0.00828 0.44112 5.82121
31 3WUC GLC GAL 0.01711 0.40898 5.83942
32 4RFR RHN 0.01114 0.42829 5.91133
33 5HES 032 0.01517 0.41233 6.18893
34 4WOE ADP 0.000392 0.4308 6.28492
35 2A4W BLM 0.01142 0.41852 6.52174
36 5DJT FMN 0.007936 0.42482 6.55738
37 5ML3 DL3 0.007366 0.46476 6.71141
38 1N07 FMN 0.03155 0.41588 6.74847
39 4QYN RTL 0.02371 0.41217 6.76692
40 4OYA 1VE 0.03847 0.4086 6.80851
41 4Q0L V14 0.006485 0.43164 6.84411
42 3EWK FAD 0.01465 0.41552 7.04846
43 2WT2 GAL NAG GAL NAG GAL NAG 0.002695 0.45715 7.28863
44 3Q8G PEE 0.02577 0.42334 7.5
45 3VV1 GAL FUC 0.005025 0.40424 7.5
46 4L4J NAG NAG BMA MAN NAG 0.006653 0.41494 7.69231
47 1UMZ BGC BGC XYS BGC XYS GAL 0.01124 0.40548 7.91367
48 5U98 1KX 0.02862 0.415 7.94224
49 1NB9 ADP 0.04459 0.4121 8.16327
50 1NB9 RBF 0.04459 0.4121 8.16327
51 5F3I 5UJ 0.04943 0.414 8.33333
52 3FW4 CAQ 0.003942 0.45526 8.98876
53 1LSH PLD 0.02172 0.41242 10.0313
54 1ZB6 GST 0.01984 0.40342 10.7492
55 1ZB6 DIN 0.01889 0.40342 10.7492
56 4YLZ LAT NAG GAL 0.001904 0.44894 11.1111
57 5UKL SIX 0.02296 0.40691 11.2094
58 5EPQ OLA 0.01427 0.41193 11.5854
59 3WG3 A2G GAL NAG FUC 0.006343 0.41562 11.7978
60 3MTX PGT 0.0004556 0.51496 11.9205
61 1NYW DAU 0.02501 0.40004 12.1827
62 5DG2 GAL GLC 0.001302 0.41723 12.5926
63 1WW5 SGA BGC 0.007599 0.41395 13.125
64 1KGI T4A 0.00343 0.45796 13.3858
65 3ZXE PGZ 0.001546 0.4354 16.5414
66 3SAO NKN 0.008181 0.41988 16.875
67 3SAO DBH 0.005731 0.41392 16.875
68 1ND2 MYR 0.01208 0.40925 17.6471
69 4K55 H6P 0.00215 0.43185 17.7419
70 4AZP A9M 0.005271 0.44965 19.5652
Pocket No.: 6; Query (leader) PDB : 5X7Q; Ligand: GLC GLC GLC GLC; Similar sites found: 27
This union binding pocket(no: 6) in the query (biounit: 5x7q.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HPH SUC 0.0238 0.40203 1.43113
2 1R27 MGD 0.03986 0.40868 2.53906
3 5JCM NAD 0.01443 0.44233 2.66075
4 5JCM FAD 0.01443 0.44233 2.66075
5 4I5I 4I5 0.008937 0.44514 2.78746
6 3RIY NAD 0.02857 0.43919 2.9304
7 5GRF