Receptor
PDB id Resolution Class Description Source Keywords
1UH4 1.8 Å EC: 3.2.1.1 THERMOACTINOMYCES VULGARIS R-47 ALPHA-AMYLASE 1/MALTO- TRIDECAOSE COMPLEX THERMOACTINOMYCES VULGARIS STARCH BINDING DOMAIN HYDROLASE
Ref.: COMPLEX STRUCTURES OF THERMOACTINOMYCES VULGARIS R-47 ALPHA-AMYLASE 1 WITH MALTO-OLIGOSACCHARIDES DEMONSTRATE THE ROLE OF DOMAIN N ACTING AS A STARCH-BINDING DOMAIN J.MOL.BIOL. V. 335 811 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC GLC A:810;
Valid;
none;
submit data
504.438 n/a O(C1O...
CA A:1001;
A:1002;
A:1003;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC A:910;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC GLC A:701;
Valid;
none;
submit data
504.438 n/a O1C(O...
GLC GLC GLC GLC GLC A:801;
Valid;
none;
submit data
828.72 n/a O(C1O...
GLC GLC GLC GLC GLC GLC A:901;
Valid;
none;
submit data
990.861 n/a O(C1O...
MPD A:2001;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UH4 1.8 Å EC: 3.2.1.1 THERMOACTINOMYCES VULGARIS R-47 ALPHA-AMYLASE 1/MALTO- TRIDECAOSE COMPLEX THERMOACTINOMYCES VULGARIS STARCH BINDING DOMAIN HYDROLASE
Ref.: COMPLEX STRUCTURES OF THERMOACTINOMYCES VULGARIS R-47 ALPHA-AMYLASE 1 WITH MALTO-OLIGOSACCHARIDES DEMONSTRATE THE ROLE OF DOMAIN N ACTING AS A STARCH-BINDING DOMAIN J.MOL.BIOL. V. 335 811 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2D0H - GLC GLC GLC GLC GLC GLC n/a n/a
2 1UH4 - GLC C6 H12 O6 C([C@@H]1[....
3 2D0F - GLC GLC BGC n/a n/a
4 1UH2 - GLC GLC GLC GLC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 2D0H - GLC GLC GLC GLC GLC GLC n/a n/a
2 1UH4 - GLC C6 H12 O6 C([C@@H]1[....
3 2D0F - GLC GLC BGC n/a n/a
4 1UH2 - GLC GLC GLC GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2D0H - GLC GLC GLC GLC GLC GLC n/a n/a
2 1UH4 - GLC C6 H12 O6 C([C@@H]1[....
3 2D0F - GLC GLC BGC n/a n/a
4 1UH2 - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC GLC; Similar ligands found: 270
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC GLC 1 1
2 MAN GLC 0.833333 1
3 LB2 0.833333 1
4 M3M 0.833333 1
5 BGC BGC BGC BGC BGC 0.754717 1
6 GLC BGC BGC BGC BGC BGC BGC 0.754717 1
7 GLC BGC BGC BGC 0.754717 1
8 BGC BGC BGC GLC BGC BGC 0.754717 1
9 BGC BGC BGC ASO BGC BGC ASO 0.754717 1
10 BGC BGC BGC 0.754717 1
11 BGC BGC BGC BGC BGC BGC BGC BGC 0.741379 1
12 BGC BGC BGC BGC 0.741379 1
13 CE8 0.735849 1
14 CEY 0.735849 1
15 BGC BGC BGC GLC 0.735849 1
16 BGC GLC GLC GLC 0.735849 1
17 GLC BGC BGC 0.735849 1
18 MLR 0.735849 1
19 MT7 0.735849 1
20 GLC GLC GLC GLC GLC GLC GLC GLC 0.735849 1
21 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.735849 1
22 BGC GLC GLC 0.735849 1
23 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.735849 1
24 GAL GAL GAL 0.735849 1
25 BMA MAN BMA 0.735849 1
26 BMA BMA BMA BMA BMA BMA 0.735849 1
27 BGC GLC GLC GLC GLC GLC GLC 0.735849 1
28 GLA GAL GLC 0.735849 1
29 MTT 0.735849 1
30 CE6 0.735849 1
31 GLC BGC BGC BGC BGC 0.735849 1
32 CE5 0.735849 1
33 BGC BGC BGC BGC BGC BGC 0.735849 1
34 MAN BMA BMA BMA BMA 0.735849 1
35 GLC GLC BGC 0.735849 1
36 BMA BMA BMA 0.735849 1
37 CTT 0.735849 1
38 CEX 0.735849 1
39 GLC GAL GAL 0.735849 1
40 B4G 0.735849 1
41 BGC GLC GLC GLC GLC 0.735849 1
42 GLC GLC BGC GLC GLC GLC GLC 0.735849 1
43 GLC BGC GLC 0.735849 1
44 BMA BMA BMA BMA BMA 0.735849 1
45 MAN BMA BMA 0.735849 1
46 GLC GLC GLC GLC GLC GLC GLC 0.735849 1
47 CT3 0.735849 1
48 DXI 0.735849 1
49 MAN MAN BMA BMA BMA BMA 0.735849 1
50 GLC BGC BGC BGC BGC BGC 0.735849 1
51 GLC GLC GLC GLC GLC 0.735849 1
52 CTR 0.735849 1
53 BMA BMA BMA BMA BMA BMA MAN 0.714286 0.970588
54 MAN BMA BMA BMA BMA BMA 0.714286 0.970588
55 LAT GLA 0.705882 1
56 BMA MAN MAN 0.701754 1
57 GLA GAL GAL 0.672414 1
58 GLA GAL BGC 0.672414 1
59 B2G 0.660377 1
60 GLC BGC 0.660377 1
61 GAL GLC 0.660377 1
62 GLA GLA 0.660377 1
63 CBI 0.660377 1
64 BGC BMA 0.660377 1
65 BMA GAL 0.660377 1
66 N9S 0.660377 1
67 MAB 0.660377 1
68 BGC GLC 0.660377 1
69 CBK 0.660377 1
70 GLA GAL 0.660377 1
71 GAL BGC 0.660377 1
72 MAL MAL 0.660377 0.970588
73 GLC GAL 0.660377 1
74 BGC GAL 0.660377 1
75 LAT 0.660377 1
76 BMA BMA 0.660377 1
77 LBT 0.660377 1
78 MAL 0.660377 1
79 GLC GLC GLC GLC GLC GLC 0.609375 1
80 MMA MAN 0.607143 0.942857
81 DR5 0.607143 0.942857
82 GLA EGA 0.603448 0.942857
83 G2F BGC BGC BGC BGC BGC 0.603175 0.868421
84 NAG GAL GAL NAG GAL 0.597222 0.6875
85 GAL GAL SO4 0.587302 0.702128
86 GLC GLC XYP 0.584615 1
87 P3M 0.584615 0.767442
88 BMA BMA GLA BMA BMA 0.58209 1
89 GLA GAL BGC 5VQ 0.580645 0.891892
90 GLC GLC GLC BGC 0.567164 1
91 MAL EDO 0.566667 0.942857
92 OXZ BGC BGC 0.560606 0.6875
93 G3I 0.560606 0.767442
94 G2I 0.560606 0.767442
95 BMA BMA MAN 0.559322 0.970588
96 BGC BGC G2F SHG 0.555556 0.846154
97 GLC GLC GLC GLC 0.553846 1
98 GLA GAL GLC NBU 0.553846 0.846154
99 MAN MAN 0.553571 1
100 BGC BGC 0.553571 1
101 2M4 0.553571 1
102 GAL NGA GLA BGC GAL 0.552632 0.733333
103 CGC 0.548387 0.941176
104 MAN BMA MAN MAN MAN 0.544118 1
105 M5S 0.544118 1
106 GLC GLC XYS 0.544118 0.970588
107 SOR GLC GLC GLC 0.536232 0.970588
108 U63 0.533333 0.891892
109 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.526316 0.942857
110 BGC BGC BGC XYS BGC BGC 0.526316 0.942857
111 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.526316 0.942857
112 M13 0.525424 0.942857
113 GAL MBG 0.525424 0.942857
114 MDM 0.525424 0.942857
115 NGA GLA GAL BGC 0.519481 0.733333
116 BMA MAN 0.516667 0.914286
117 LAG 0.514286 0.6
118 GLO GLC GLC GLC 0.513514 0.942857
119 GAL NAG GAL FUC 0.512821 0.717391
120 GLA NAG GAL FUC 0.512821 0.717391
121 GAL FUC 0.508197 0.941176
122 SOR GLC GLC 0.507246 0.970588
123 GLA GAL NAG 0.507042 0.733333
124 NAG GAL GAL 0.507042 0.733333
125 MAN BMA NAG 0.507042 0.733333
126 GLC GAL NAG GAL 0.506494 0.733333
127 MVP 0.5 0.733333
128 LAT NAG GAL 0.5 0.733333
129 BGC GAL NAG GAL 0.5 0.733333
130 MAN MAN MAN GLC 0.5 1
131 ABD 0.5 0.75
132 GAL NAG GAL BGC 0.5 0.733333
133 GLC GLC BGC XYS BGC XYS 0.5 0.942857
134 NGA GAL BGC 0.5 0.733333
135 BGC BGC XYS BGC 0.493333 0.942857
136 UMQ 0.492754 0.785714
137 LMT 0.492754 0.785714
138 DMU 0.492754 0.785714
139 LMU 0.492754 0.785714
140 NGA GAL 0.492537 0.733333
141 GAL NAG 0.492537 0.733333
142 NAG GAL 0.492537 0.733333
143 TRE 0.490196 1
144 GLC GLC G6D ACI GLC GLC GLC 0.488095 0.785714
145 BGC RAM BGC GAD 0.488095 0.846154
146 BGC BGC BGC XYS GAL 0.487179 0.942857
147 GAL BGC NAG GAL 0.486842 0.733333
148 GLO GLC GLC 0.486486 0.942857
149 RCB 0.486486 0.622642
150 FUC BGC GAL 0.485294 0.970588
151 NLC 0.484848 0.733333
152 GAL NDG 0.484848 0.733333
153 NDG GAL 0.484848 0.733333
154 NOY BGC 0.47619 0.75
155 GLA MBG 0.474576 0.942857
156 6UZ 0.472222 0.846154
157 NAG MAN GAL MAN MAN NAG GAL 0.471264 0.6875
158 MAN MAN BMA 0.46875 1
159 DOM 0.467742 0.942857
160 GAL BGC BGC XYS 0.466667 0.942857
161 MAN MAN MAN MAN 0.464789 1
162 MAN MAN BMA MAN 0.464789 1
163 GAL A2G 0.462687 0.733333
164 A2G GAL 0.462687 0.733333
165 GAL NGA 0.462687 0.733333
166 BGC GLA GAL FUC 0.460526 0.970588
167 CM5 0.460526 0.891892
168 NPJ 0.459459 0.622642
169 NAG GAL GAL NAG 0.455696 0.6875
170 GAL NAG GAL NAG GAL NAG 0.455696 0.673469
171 NAG GAL BGC 0.454545 0.733333
172 MA4 0.454545 0.891892
173 QV4 0.453488 0.733333
174 GAL NAG MAN 0.453333 0.733333
175 MAN NAG GAL 0.453333 0.733333
176 5QP 0.453125 0.885714
177 FUC GLA GLA 0.449275 0.970588
178 FUC GAL GLA 0.449275 0.970588
179 GLA GAL FUC 0.449275 0.970588
180 GAL GAL FUC 0.449275 0.970588
181 GLA GLA FUC 0.449275 0.970588
182 47N 0.447761 0.891892
183 AAL GAL 0.447761 0.891892
184 BGC BGC BGC XYS BGC XYS GAL 0.447059 0.942857
185 GAL BGC BGC BGC XYS BGC XYS 0.447059 0.942857
186 MAN MNM 0.446154 0.75
187 10M 0.445946 0.733333
188 GLC BGC BGC BGC XYS BGC XYS XYS 0.445783 0.916667
189 GLC GLC GLC G6D ADH GLC 0.444444 0.6875
190 NAG BMA 0.442857 0.653061
191 BGC BGC SGC MGL 0.441558 0.868421
192 MAN MAN MAN BMA MAN 0.441558 1
193 MGL SGC GLC GLC 0.441558 0.868421
194 8VZ 0.441176 0.673469
195 GLC G6D ACI GLC 0.440476 0.785714
196 GLC ACI G6D BGC 0.440476 0.785714
197 GLC ACI GLD GLC 0.440476 0.785714
198 GLC G6D ADH GLC 0.440476 0.785714
199 NOJ GLC 0.439394 0.727273
200 FMO 0.439394 0.868421
201 4MU BGC BGC BGC BGC 0.439024 0.767442
202 FUC BGC GAL NAG GAL 0.438202 0.717391
203 BGC BGC XYS BGC XYS BGC XYS 0.4375 0.942857
204 BGC BGC BGC XYS BGC XYS XYS 0.4375 0.942857
205 GLC BGC BGC XYS BGC XYS XYS 0.4375 0.942857
206 MAN MAN MAN MAN MAN MAN MAN MAN 0.436782 0.846154
207 FUC GAL NAG GAL FUC 0.435294 0.702128
208 AAO 0.433333 0.733333
209 ACR GLC GLC GLC 0.433333 0.733333
210 GLC GLC ACI G6D GLC GLC 0.433333 0.733333
211 GLC GLC DAF BGC 0.433333 0.733333
212 ARE 0.433333 0.733333
213 GLC GLC AGL HMC GLC 0.433333 0.733333
214 SGA BGC 0.432836 0.702128
215 LSE 0.432432 0.6875
216 FUC LAT 0.430556 0.970588
217 GLC GAL FUC 0.430556 0.970588
218 FUC GAL GLC 0.430556 0.970588
219 LAT FUC 0.430556 0.970588
220 BGC GAL FUC 0.430556 0.970588
221 GAL NAG GAL 0.43038 0.702128
222 NAG NAG BMA MAN 0.430233 0.634615
223 T6P 0.428571 0.767442
224 RZM 0.428571 0.688889
225 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.426966 0.942857
226 GLC BGC BGC XYS BGC XYS XYS GAL 0.426966 0.942857
227 GAL BGC BGC BGC XYS XYS 0.426966 0.942857
228 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.426966 0.942857
229 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.426966 0.942857
230 4MU BGC BGC 0.426829 0.767442
231 GLA MAN ABE 0.426667 0.916667
232 GTM BGC BGC 0.426667 0.868421
233 9MR 0.424242 0.744186
234 BMA IFM 0.424242 0.744186
235 IFM BMA 0.424242 0.744186
236 ISX 0.424242 0.761905
237 BGC OXZ 0.424242 0.666667
238 IFM BGC 0.424242 0.744186
239 MAN MMA MAN 0.422535 0.942857
240 TXT 0.421687 0.767442
241 ACI GLD GLC GAL 0.421687 0.785714
242 DAF GLC GLC 0.421687 0.785714
243 GAC 0.421687 0.767442
244 DAF BGC GLC 0.421687 0.785714
245 5GO 0.42029 0.66
246 GAL NGA A2G 0.418919 0.673469
247 GLC DMJ 0.41791 0.727273
248 BMA BMA BMA BMA GLA BMA GLA 0.417582 0.846154
249 ABL 0.411765 0.702128
250 GLC GLC FRU 0.410256 0.868421
251 4MU MAN MAN 0.409639 0.767442
252 BGC BGC ZZ1 0.409639 0.767442
253 BMA FRU 0.409091 0.842105
254 FRU GAL 0.409091 0.842105
255 DEL 0.409091 0.970588
256 NAG NDG BMA 0.407407 0.634615
257 NAG NAG BMA 0.407407 0.634615
258 GAL GAL GLC EMB MEC 0.406593 0.622642
259 DAF GLC DAF GLC GLC 0.404494 0.75
260 BGC GLC AC1 GLC GLC GLC AC1 0.404494 0.75
261 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.404494 0.75
262 AC1 GLC AC1 BGC 0.404494 0.75
263 ACI G6D GLC ACI G6D BGC 0.404494 0.75
264 ACI GLD GLC ACI G6D BGC 0.404494 0.75
265 GLA GAL NAG FUC GAL GLC 0.404255 0.717391
266 VAM 0.402985 0.868421
267 GLF B8D 0.402985 0.775
268 NAG BMA MAN MAN MAN MAN 0.402299 0.733333
269 GAL MGC 0.4 0.702128
270 MAN 7D1 0.4 0.888889
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: 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: 4; 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
Ligand no: 5; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC BGC 0.777778 1
3 BMA BMA GLA BMA BMA 0.712121 1
4 BMA BMA BMA BMA BMA BMA MAN 0.688525 0.970588
5 MAN BMA BMA BMA BMA BMA 0.688525 0.970588
6 BMA GLA 0.684211 1
7 GLA GLC 0.684211 1
8 GLA BMA 0.684211 1
9 MLB 0.684211 1
10 LAK 0.684211 1
11 GAL GAL 0.684211 1
12 MAN BMA 0.684211 1
13 GLA BGC 0.684211 1
14 BGC GLA 0.684211 1
15 GLA GAL GLC 0.677966 1
16 B4G 0.677966 1
17 GLC GLC GLC GLC GLC 0.677966 1
18 BGC GLC GLC GLC GLC GLC GLC 0.677966 1
19 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.677966 1
20 BMA MAN BMA 0.677966 1
21 MAN BMA BMA 0.677966 1
22 MTT 0.677966 1
23 DXI 0.677966 1
24 BMA BMA BMA BMA BMA BMA 0.677966 1
25 BMA BMA BMA 0.677966 1
26 GLC BGC BGC BGC BGC BGC 0.677966 1
27 BGC GLC GLC GLC 0.677966 1
28 GAL GAL GAL 0.677966 1
29 BGC GLC GLC 0.677966 1
30 CE5 0.677966 1
31 CE6 0.677966 1
32 BGC BGC BGC BGC BGC BGC 0.677966 1
33 GLC GLC GLC GLC GLC GLC GLC 0.677966 1
34 BGC BGC BGC GLC 0.677966 1
35 CTR 0.677966 1
36 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.677966 1
37 CTT 0.677966 1
38 CT3 0.677966 1
39 GLC GLC BGC GLC GLC GLC GLC 0.677966 1
40 BGC GLC GLC GLC GLC 0.677966 1
41 CE8 0.677966 1
42 MT7 0.677966 1
43 GLC GAL GAL 0.677966 1
44 MLR 0.677966 1
45 GLC GLC GLC GLC GLC GLC GLC GLC 0.677966 1
46 MAN BMA BMA BMA BMA 0.677966 1
47 GLC BGC GLC 0.677966 1
48 GLC BGC BGC 0.677966 1
49 CEY 0.677966 1
50 GLC BGC BGC BGC BGC 0.677966 1
51 CEX 0.677966 1
52 GLC GLC BGC 0.677966 1
53 MAN MAN BMA BMA BMA BMA 0.677966 1
54 BMA BMA BMA BMA BMA 0.677966 1
55 GLC GLC GLC GLC GLC BGC 0.661017 1
56 GLC GLC GLC GLC BGC 0.661017 1
57 MAN MAN MAN 0.661017 1
58 GLC GLC GLC 0.661017 1
59 MAN MAN MAN MAN 0.656716 1
60 MAN MAN BMA MAN 0.656716 1
61 GLA EGA 0.639344 0.942857
62 GAL BGC NAG GAL 0.621622 0.733333
63 LAT GLA 0.62069 1
64 GLA GAL BGC 5VQ 0.615385 0.891892
65 GLC GLC GLC GLC 0.61194 1
66 LAT 0.610169 1
67 N9S 0.610169 1
68 LBT 0.610169 1
69 CBI 0.610169 1
70 BGC GAL 0.610169 1
71 GLA GLA 0.610169 1
72 MAL 0.610169 1
73 GAL GLC 0.610169 1
74 GLC BGC 0.610169 1
75 GAL BGC 0.610169 1
76 MAB 0.610169 1
77 BMA GAL 0.610169 1
78 BMA BMA 0.610169 1
79 CBK 0.610169 1
80 GLA GAL 0.610169 1
81 MAL MAL 0.610169 0.970588
82 GLC GAL 0.610169 1
83 BGC GLC 0.610169 1
84 BGC BMA 0.610169 1
85 B2G 0.610169 1
86 BGC BGC GLC 0.609375 1
87 MAL EDO 0.603175 0.942857
88 6SA 0.597826 0.733333
89 MAN MAN MAN BMA MAN 0.594595 1
90 BGC BGC BGC BGC BGC BGC BGC BGC 0.588235 1
91 BGC BGC BGC BGC 0.588235 1
92 GLA GAL GLC NBU 0.588235 0.846154
93 BGC BGC XYS BGC 0.586667 0.942857
94 M5S 0.577465 1
95 MAN BMA MAN MAN MAN 0.577465 1
96 BGC BGC BGC XYS BGC BGC 0.576923 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.576923 0.942857
98 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.576923 0.942857
99 GLC GLC BGC XYS BGC XYS 0.551282 0.942857
100 GLC BGC BGC BGC XYS BGC XYS XYS 0.548781 0.916667
101 IAB 0.544444 0.733333
102 FUB AHR 0.542373 0.857143
103 AHR AHR 0.542373 0.857143
104 AHR AHR AHR 0.540984 0.857143
105 FUB AHR AHR 0.540984 0.857143
106 DR5 0.539683 0.942857
107 MMA MAN 0.539683 0.942857
108 GLA GAL GAL 0.529412 1
109 GLA GAL BGC 0.529412 1
110 GLC GLC XYP 0.527778 1
111 UMQ 0.527778 0.785714
112 LMT 0.527778 0.785714
113 LMU 0.527778 0.785714
114 DMU 0.527778 0.785714
115 GLC BGC BGC XYS BGC XYS XYS 0.525 0.942857
116 BGC BGC XYS BGC XYS BGC XYS 0.525 0.942857
117 BGC BGC BGC XYS BGC XYS XYS 0.525 0.942857
118 MAN MAN MAN BMA MAN MAN MAN 0.52381 0.942857
119 BMA BMA MAN 0.523077 0.970588
120 G2F BGC BGC BGC BGC BGC 0.521127 0.868421
121 BGC BGC BGC XYS GAL 0.518519 0.942857
122 6UZ 0.506667 0.846154
123 GLC BGC BGC XYS BGC XYS XYS GAL 0.505618 0.942857
124 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.505618 0.942857
125 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.505618 0.942857
126 GAL BGC BGC BGC XYS XYS 0.505618 0.942857
127 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.505618 0.942857
128 MAN MMA MAN 0.5 0.942857
129 GAL BGC BGC XYS 0.5 0.942857
130 GAL BGC BGC BGC XYS BGC XYS 0.494253 0.942857
131 BGC BGC BGC XYS BGC XYS GAL 0.494253 0.942857
132 ABD 0.493976 0.75
133 G3I 0.486486 0.767442
134 G2I 0.486486 0.767442
135 OXZ BGC BGC 0.486486 0.6875
136 M3M 0.484375 1
137 MAN GLC 0.484375 1
138 LB2 0.484375 1
139 NAG MAN GAL MAN MAN NAG GAL 0.483516 0.6875
140 BMA BMA BMA BMA GLA BMA GLA 0.478261 0.846154
141 U63 0.477612 0.891892
142 CM5 0.475 0.891892
143 NGA GAL BGC 0.474359 0.733333
144 GLC GLC XYS 0.473684 0.970588
145 MVP 0.471429 0.733333
146 GAL NGA GLA BGC GAL 0.470588 0.733333
147 MAN MMA 0.469697 0.942857
148 BGC BGC G2F SHG 0.469136 0.846154
149 MA4 0.469136 0.891892
150 MAN MAN 0.46875 1
151 2M4 0.46875 1
152 BGC BGC 0.46875 1
153 LAG 0.467532 0.6
154 SOR GLC GLC GLC 0.467532 0.970588
155 NAG BMA MAN MAN MAN MAN 0.465909 0.733333
156 GAL GAL SO4 0.465753 0.702128
157 BMA MAN MAN 0.464789 1
158 NAG MAN MAN 0.463415 0.733333
159 NAG MAN BMA 0.463415 0.733333
160 MAN H1M MAN 0.461538 0.868421
161 BGC BGC XYS BGC XYS GAL 0.460674 0.916667
162 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.460674 0.916667
163 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.460674 0.916667
164 GAL FUC 0.455882 0.941176
165 WZ3 0.455696 0.916667
166 GLC GLC XYS XYS 0.454545 0.914286
167 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.452632 0.733333
168 MAN MAN NAG MAN NAG 0.451613 0.6875
169 NAG NAG BMA MAN MAN 0.451613 0.6875
170 QV4 0.450549 0.733333
171 GLC GLC G6D ACI GLC GLC GLC 0.450549 0.785714
172 BGC BGC BGC BGC BGC 0.449275 1
173 BGC BGC BGC ASO BGC BGC ASO 0.449275 1
174 BGC BGC BGC GLC BGC BGC 0.449275 1
175 BGC BGC BGC 0.449275 1
176 GLC BGC BGC BGC 0.449275 1
177 GLC BGC BGC BGC BGC BGC BGC 0.449275 1
178 LSE 0.448718 0.6875
179 RCB 0.444444 0.622642
180 GLC GLC FRU 0.444444 0.868421
181 MAN MAN BMA 0.442857 1
182 NGA GLA GAL BGC 0.44186 0.733333
183 SOR GLC GLC 0.441558 0.970588
184 BMA MAN 0.441176 0.914286
185 FUC BGC GAL 0.44 0.970588
186 BGC GLA GAL FUC 0.439024 0.970588
187 NDG GAL 0.438356 0.733333
188 GAL NDG 0.438356 0.733333
189 NLC 0.438356 0.733333
190 GLO GLC GLC GLC 0.433735 0.942857
191 GLC GLC AGL HMC GLC 0.431579 0.733333
192 ACR GLC GLC GLC 0.431579 0.733333
193 GLC GLC ACI G6D GLC GLC 0.431579 0.733333
194 GLC GLC DAF BGC 0.431579 0.733333
195 TRE 0.431034 1
196 GLC GAL NAG GAL 0.430233 0.733333
197 NAG BMA MAN MAN MAN MAN MAN 0.430233 0.868421
198 LAT FUC 0.428571 0.970588
199 BMA NGT MAN MAN 0.428571 0.66
200 GLC GAL FUC 0.428571 0.970588
201 BGC GAL FUC 0.428571 0.970588
202 FUC GAL GLC 0.428571 0.970588
203 FUC LAT 0.428571 0.970588
204 10M 0.425 0.733333
205 GLA MBG 0.424242 0.942857
206 BGC GAL NAG GAL 0.423529 0.733333
207 LAT NAG GAL 0.423529 0.733333
208 GAL NAG GAL BGC 0.423529 0.733333
209 4MU BGC BGC BGC BGC 0.420455 0.767442
210 NPJ 0.419753 0.622642
211 ARE 0.416667 0.733333
212 AAO 0.416667 0.733333
213 GAL NAG MAN 0.414634 0.733333
214 MAN NAG GAL 0.414634 0.733333
215 M5G 0.413462 0.6875
216 NBG BGC BGC XYS BGC XYS XYS 0.413043 0.702128
217 GLC GLC GLC G6D ADH GLC 0.412371 0.6875
218 LAT SPH DAO 0.410526 0.611111
219 LAT SPH OLA 0.410526 0.611111
220 P3M 0.410256 0.767442
221 NAG MAN MAN MAN NAG GAL NAG GAL 0.41 0.673469
222 MAN BMA NAG NAG MAN NAG GAL GAL 0.41 0.673469
223 NAG MAN GAL BMA NAG MAN NAG GAL 0.41 0.673469
224 NAG MAN GAL BMA NDG MAN NAG GAL 0.41 0.673469
225 GLO GLC GLC 0.409639 0.942857
226 4MU BGC BGC 0.409091 0.767442
227 GLC G6D ADH GLC 0.406593 0.785714
228 GLC G6D ACI GLC 0.406593 0.785714
229 GLC ACI G6D BGC 0.406593 0.785714
230 GLC ACI GLD GLC 0.406593 0.785714
231 GAL GAL GLC EMB MEC 0.40625 0.622642
232 T6P 0.405797 0.767442
233 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40566 0.6875
234 FRU GLC GLA 0.405063 0.891892
235 RAF 0.405063 0.891892
236 BGC BGC SGC MGL 0.404762 0.868421
237 MGL SGC GLC GLC 0.404762 0.868421
238 MAN MAN MAN MAN MAN MAN MAN MAN 0.404255 0.846154
239 1GN ACY GAL ACY 1GN BGC GAL BGC 0.404255 0.6875
240 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.404255 0.6875
241 NAG GAL GAL NAG GAL 0.402299 0.6875
242 8VZ 0.4 0.673469
243 DOM 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UH4; Ligand: GLC; Similar sites found: 25
This union binding pocket(no: 1) in the query (biounit: 1uh4.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YBQ UP2 0.01294 0.43213 1.71233
2 2YBQ SAH 0.006345 0.43213 1.71233
3 3WLE NAD 0.004391 0.43522 2.05279
4 1USR SIA WIA 0.006007 0.4097 2.20264
5 1ZFJ IMP 0.01341 0.41215 2.24033
6 2E0N SAH 0.01021 0.41393 2.3166
7 3ETG GLU 0.02159 0.40744 2.99401
8 5DTF 5CT 0.008997 0.43111 3.47826
9 5DUB GLY 5GG GLY ALA 0.01239 0.41324 3.6036
10 4S3R 7SA 0.01239 0.42011 3.76766
11 1FEC FAD 0.02529 0.40692 3.87755
12 1KOL NAD 0.0002978 0.4652 4.0201
13 1PJS SAH 0.003947 0.44591 5.03282
14 4B16 NAG 0.005599 0.42312 5.26316
15 4JB0 ENO 0.0001214 0.43356 5.67568
16 4JB0 FER 0.0006316 0.4075 5.67568
17 1NF3 GNP 0.02647 0.40524 6.25
18 4J4H NAI 0.008436 0.4033 6.56371
19 4J4H 1J1 0.008188 0.4033 6.56371
20 1NBU PH2 0.01577 0.42116 6.72269
21 4KMZ FOL 0.004613 0.43218 8.69565
22 1WNG SAH 0.0004476 0.49264 9.81132
23 2QTV GNP 0.04263 0.41191 10.2041
24 5L95 AMP 0.01529 0.40704 12.5
25 4JEJ 1GP 0.00758 0.43862 14.7541
Pocket No.: 2; Query (leader) PDB : 1UH4; Ligand: GLC GLC GLC; Similar sites found: 36
This union binding pocket(no: 2) in the query (biounit: 1uh4.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GDV BGC 0.000002286 0.48469 1.19048
2 5JBE GLC GLC GLC GLC GLC 0.0001659 0.41115 2.35479
3 3KLL MAL 0.0003626 0.45427 2.82575
4 2FHF GLC GLC GLC GLC 0.00003467 0.48359 3.61068
5 4S3R 7SA 0.002384 0.41958 3.76766
6 4QEK GLC 0.01777 0.41734 4.65116
7 2D3N GLC GLC GLC GLC 0.0001495 0.4768 5.7732
8 2D3N GLC 0.0001105 0.4768 5.7732
9 2D3N GLC GLC GLC GLC GLC GLC 0.0001292 0.4768 5.7732
10 2CST MAE 0.032 0.40413 6.81265
11 5CGM MAL 0.0002629 0.49428 7.22135
12 1JG9 GLC 0.00001085 0.40024 7.32484
13 4U31 MVP 0.0002714 0.45797 7.37834
14 1JDC GLC GLC GLC GLC 0.0000007216 0.52336 8.62471
15 3CZG GLC 0.00003012 0.4234 10.2041
16 3UER BTU 0.00000002645 0.68795 10.8397
17 2PWG CTS 0.000003775 0.48392 11.6906
18 3K8L CEY 0.0000003662 0.57346 12.8728
19 3K8L MT7 0.0000009441 0.51916 12.8728
20 8CGT TM6 0.00000003775 0.57946 13.1868
21 1GJW MAL 0.00003628 0.43061 15.0706
22 3AXI GLC 0.000005342 0.55498 16.4686
23 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.02419 0.40642 18.0328
24 4HPH SUC 0.0000008363 0.48243 26.8336
25 2ZID GLC GLC GLC 0.000001119 0.48712 26.8877
26 3GBE NOJ 0.0000006782 0.43462 29.9283
27 5DO8 BGC 0.00001554 0.42268 31.5315
28 3EDF CE6 0.00000002718 0.57494 32.1131
29 3EDF ACX 0.0000000164 0.57436 32.1131
30 1LWJ ACG 0.0000003359 0.52644 32.4263
31 3WY2 BGC 0.00000007966 0.62961 32.5279
32 2CXG GLC G6D ACI GLC 0.00000008044 0.51971 32.967
33 1UKQ GLC ACI G6D GLC 0.00000007697 0.58191 33.281
34 3BMW GLC GLC G6D ACI GLC GLC GLC 0.00000003309 0.57198 33.752
35 3VM7 GLC 0.0001227 0.5175 33.9431
36 1QHO ABD 0.00000006445 0.59639 36.5777
Pocket No.: 3; Query (leader) PDB : 1UH4; Ligand: GLC GLC GLC GLC GLC; Similar sites found: 13
This union binding pocket(no: 3) in the query (biounit: 1uh4.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q3Q ANP 0.04111 0.40142 1.09489
2 5IH9 6BF 0.03079 0.41508 2.08955
3 3G5D 1N1 0.005355 0.47288 2.7972
4 1N07 FMN 0.02442 0.41972 3.06748
5 4XV1 904 0.0231 0.41939 3.76712
6 1PJS SAH 0.02743 0.40244 5.03282
7 3N1S 5GP 0.01687 0.40538 5.04202
8 2J7T 274 0.01233 0.43052 5.96026
9 2XVD AS6 0.02806 0.41106 6.62252
10 5COU ATP 0.01797 0.40592 7.05882
11 4KAX GTP 0.03017 0.40217 8.07453
12 4TWP AXI 0.01204 0.45915 9.22509
13 2HK5 1BM 0.01071 0.42259 11.4815
Pocket No.: 4; Query (leader) PDB : 1UH4; Ligand: BGC BGC GLC; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 1uh4.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FEC FAD 0.04904 0.40015 3.87755
2 1DCP HBI 0.006828 0.42575 7.69231
Pocket No.: 5; Query (leader) PDB : 1UH4; Ligand: GLC GLC GLC GLC GLC GLC; Similar sites found: 16
This union binding pocket(no: 5) in the query (biounit: 1uh4.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2R85 AMP 0.02518 0.40416 1.1976
2 4Q4K FMN 0.02148 0.40637 1.40056
3 2C77 GNP 0.01552 0.40099 1.48148
4 3AFH GSU 0.0188 0.41607 2.45902
5 5ULP KB1 0.02656 0.40418 2.98507
6 4CLI 5P8 0.03669 0.40343 3.0581
7 2OD9 A1R NCA 0.02248 0.40231 3.24675
8 1D8T GDP 0.0078 0.41195 3.30789
9 5N87 N66 0.04251 0.40884 3.51438
10 1YOK P6L 0.02946 0.40709 3.90625
11 5G4R LF1 0.006345 0.41596 4.23729
12 5CUQ NSC 0.01586 0.41705 4.86891
13 1NF3 GNP 0.03653 0.41038 6.25
14 5X1M THG 0.03889 0.40895 8.01688
15 5X1M DHB 0.03783 0.40831 8.01688
16 2GAG NAD 0.04242 0.40232 10.101
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