Receptor
PDB id Resolution Class Description Source Keywords
5M6Z 1.67 Å EC: 2.7.2.3 THE X-RAY STRUCTURE OF HUMAN M189I PGK-1 MUTANT IN PARTIALLY CONFORMATION HOMO SAPIENS TRANSFERASE HUMAN PHOSPHOGLYCERATE KINASE 1 M189I SNP -DERMUTANT
Ref.: THE PHOSPHOGLYCERATE KINASE 1 VARIANTS FOUND IN CAR CELLS DISPLAY DIFFERENT CATALYTIC ACTIVITY AND CONFORMATIONAL STABILITY COMPARED TO THE NATIVE ENZ PLOS ONE V. 13 99191 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PG A:501;
Valid;
none;
submit data
186.057 C3 H7 O7 P C([C@...
PO4 A:502;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
MG A:505;
A:504;
Part of Protein;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
ADP A:503;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4O33 2.1 Å EC: 2.7.2.3 CRYSTAL STRUCTURE OF HUMAN PGK1 3PG AND TERAZOSIN(TZN) TERNA HOMO SAPIENS ENZYME-DRUG COMPLEX TRANSFERASE-TRANSFERASE ACTIVITOR COMPLTRANSFERASE-TRANSFERASE ACTIVATOR COMPLEX
Ref.: TERAZOSIN ACTIVATES PGK1 AND HSP90 TO PROMOTE STRES RESISTANCE. NAT.CHEM.BIOL. V. 11 19 2015
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5O7D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2WZC - ALF ADP 3PG n/a n/a
3 5M3U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1HDI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 2XE7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 3C3B - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
7 4O3F Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
8 3C3A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1KF0 Kd = 2.8 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5M1R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 2ZGV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 2WZB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 1VJD Kd = 0.286 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3C3C - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
15 5MXM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1VJC Kd = 0.263 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 2WZD - AF3 ADP 3PG n/a n/a
18 3C39 - 3PG C3 H7 O7 P C([C@H](C(....
19 2XE8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
20 2YBE - LA8 ALF 3PG n/a n/a
21 2XE6 - 3PG C3 H7 O7 P C([C@H](C(....
22 4O33 Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
23 5M6Z - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QPG - MAP C10 H16 Mg N6 O12 P3 c1nc(c2c(n....
2 3PGK - 3PG C3 H7 O7 P C([C@H](C(....
3 5O7D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2WZC - ALF ADP 3PG n/a n/a
5 5M3U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1HDI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 2XE7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3C3B - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
9 4O3F Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
10 3C3A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1KF0 Kd = 2.8 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
12 5M1R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 2ZGV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 2WZB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1VJD Kd = 0.286 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 3C3C - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
17 5MXM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1VJC Kd = 0.263 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 2WZD - AF3 ADP 3PG n/a n/a
20 3C39 - 3PG C3 H7 O7 P C([C@H](C(....
21 2XE8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
22 2YBE - LA8 ALF 3PG n/a n/a
23 2XE6 - 3PG C3 H7 O7 P C([C@H](C(....
24 4O33 Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
25 5M6Z - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 2P9T - 3PG C3 H7 O7 P C([C@H](C(....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 13PK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 16PK - BIS C15 H22 F4 N5 O12 P3 c1nc(c2c(n....
3 1QPG - MAP C10 H16 Mg N6 O12 P3 c1nc(c2c(n....
4 3PGK - 3PG C3 H7 O7 P C([C@H](C(....
5 2CUN - 3PG C3 H7 O7 P C([C@H](C(....
6 5O7D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 2WZC - ALF ADP 3PG n/a n/a
8 5M3U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1HDI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2XE7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3C3B - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
12 4O3F Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
13 3C3A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1KF0 Kd = 2.8 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
15 5M1R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2ZGV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 2WZB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1VJD Kd = 0.286 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 3C3C - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
20 5MXM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1VJC Kd = 0.263 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 2WZD - AF3 ADP 3PG n/a n/a
23 3C39 - 3PG C3 H7 O7 P C([C@H](C(....
24 2XE8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
25 2YBE - LA8 ALF 3PG n/a n/a
26 2XE6 - 3PG C3 H7 O7 P C([C@H](C(....
27 4O33 Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
28 5M6Z - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 2P9T - 3PG C3 H7 O7 P C([C@H](C(....
30 6HXE - 3PG C3 H7 O7 P C([C@H](C(....
31 1VPE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
32 1PHP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 3ZLB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3PG; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 3PG 1 1
2 DEZ 0.575758 0.941176
3 DER 0.575758 0.941176
4 SEP 0.515152 0.74359
5 4TP 0.5 0.780488
6 PA5 0.486486 0.941176
7 R10 0.486486 0.941176
8 DG2 0.485714 0.909091
9 LG6 0.461538 0.941176
10 6PG 0.461538 0.941176
11 HG3 0.451613 0.9375
12 1GP 0.4375 0.852941
13 G3P 0.4375 0.852941
14 PGA 0.433333 0.90625
15 DXP 0.432432 0.911765
16 GOS 0.424242 0.857143
17 M2P 0.424242 0.857143
18 G3H 0.411765 0.9375
19 5RP 0.410256 0.837838
20 D5X 0.410256 0.941176
21 HMS 0.410256 0.837838
22 5SP 0.410256 0.837838
23 PEQ 0.40625 0.727273
24 0V5 0.40625 0.727273
25 RUB 0.4 0.885714
26 XBP 0.4 0.885714
27 RES 0.4 0.659574
Ligand no: 2; Ligand: ADP; Similar ligands found: 520
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 HEJ 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 AMP MG 0.785714 0.929577
24 CA0 0.783784 0.945205
25 ADX 0.783784 0.873418
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 KG4 0.773333 0.945205
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP BEF 0.746667 0.943662
38 ADP MG 0.746667 0.943662
39 A12 0.743243 0.958904
40 AP2 0.743243 0.958904
41 SRA 0.736111 0.918919
42 ADQ 0.73494 0.945205
43 25L 0.732558 0.985915
44 5AL 0.725 0.931507
45 8LE 0.725 0.894737
46 2A5 0.717949 0.918919
47 A1R 0.714286 0.907895
48 AU1 0.714286 0.972222
49 A3R 0.714286 0.907895
50 APC MG 0.708861 0.917808
51 ATR 0.708861 0.971429
52 PAP 0.708861 0.985714
53 ATP MG 0.708861 0.943662
54 ADP PO3 0.708861 0.943662
55 8LH 0.707317 0.906667
56 SRP 0.707317 0.906667
57 7D3 0.706667 0.905405
58 JNT 0.705882 0.945205
59 OZV 0.702381 0.971831
60 25A 0.702381 0.971831
61 BEF ADP 0.7 0.917808
62 OAD 0.697674 0.945205
63 9X8 0.697674 0.92
64 8LQ 0.690476 0.906667
65 QA7 0.690476 0.894737
66 RBY 0.6875 0.932432
67 ADV 0.6875 0.932432
68 00A 0.686047 0.883117
69 5SV 0.682353 0.848101
70 OOB 0.682353 0.931507
71 8QN 0.682353 0.931507
72 3OD 0.681818 0.945205
73 BIS 0.681818 0.933333
74 ANP MG 0.674699 0.931507
75 VO4 ADP 0.674699 0.945205
76 ALF ADP 0.674699 0.87013
77 AMO 0.674419 0.932432
78 4AD 0.674419 0.92
79 PAJ 0.674419 0.884615
80 GAP 0.670732 0.893333
81 MAP 0.670588 0.945946
82 DLL 0.666667 0.931507
83 AHX 0.666667 0.896104
84 PTJ 0.662921 0.896104
85 V2G 0.662651 0.896104
86 KMQ 0.659341 0.932432
87 3UK 0.659091 0.918919
88 SON 0.658228 0.932432
89 LMS 0.653333 0.82716
90 B5V 0.651685 0.906667
91 WAQ 0.651685 0.883117
92 LAD 0.651685 0.860759
93 PR8 0.651685 0.85
94 7D4 0.65 0.905405
95 ITT 0.65 0.943662
96 G5P 0.648936 0.921053
97 RAB 0.647059 0.84507
98 XYA 0.647059 0.84507
99 ADN 0.647059 0.84507
100 ME8 0.644444 0.839506
101 TXA 0.644444 0.932432
102 NB8 0.644444 0.896104
103 FYA 0.644444 0.905405
104 1ZZ 0.644444 0.839506
105 6AD 0.642857 0.909091
106 ADP BMA 0.640449 0.918919
107 G3A 0.638298 0.921053
108 DAL AMP 0.632184 0.905405
109 AFH 0.631579 0.884615
110 9SN 0.630435 0.871795
111 9ZA 0.625 0.907895
112 DQV 0.625 0.958333
113 GTA 0.625 0.886076
114 9ZD 0.625 0.907895
115 FA5 0.623656 0.906667
116 B5M 0.623656 0.894737
117 B5Y 0.623656 0.894737
118 UP5 0.622449 0.92
119 CUU 0.621951 0.971831
120 NO7 0.62069 0.932432
121 JSQ 0.619048 0.945946
122 HFD 0.619048 0.945946
123 XAH 0.617021 0.839506
124 AV2 0.616279 0.917808
125 AOC 0.615385 0.821918
126 48N 0.612245 0.896104
127 4UV 0.610526 0.894737
128 NAX 0.606061 0.873418
129 DND 0.606061 0.932432
130 TXD 0.606061 0.907895
131 NAI 0.606061 0.907895
132 6V0 0.606061 0.896104
133 5N5 0.605634 0.819444
134 5AS 0.604938 0.77907
135 A4P 0.60396 0.843373
136 DAT 0.60241 0.905405
137 A2R 0.602273 0.985915
138 OMR 0.6 0.851852
139 TXE 0.6 0.907895
140 GA7 0.597938 0.906667
141 4UU 0.597938 0.894737
142 5CD 0.597222 0.805556
143 A4D 0.597222 0.819444
144 L3W 0.594059 0.932432
145 AP0 0.594059 0.896104
146 4TC 0.594059 0.896104
147 A3P 0.592593 0.971429
148 T5A 0.592233 0.841463
149 139 0.592233 0.873418
150 7D5 0.592105 0.878378
151 ATP A A A 0.589474 0.930556
152 ATP A 0.589474 0.930556
153 LAQ 0.585859 0.839506
154 MYR AMP 0.585106 0.817073
155 H1Q 0.583333 0.90411
156 F2R 0.580952 0.864198
157 YLP 0.58 0.819277
158 UPA 0.578431 0.907895
159 7DD 0.578313 0.985714
160 3AM 0.576923 0.929577
161 ADJ 0.576923 0.851852
162 NAD 0.575472 0.931507
163 COD 0.575472 0.811765
164 3AT 0.574713 0.971831
165 JB6 0.574468 0.883117
166 4UW 0.574257 0.860759
167 EP4 0.573333 0.753247
168 A2P 0.573171 0.957143
169 CNA 0.571429 0.932432
170 TYM 0.568627 0.906667
171 PPS 0.568182 0.873418
172 DTA 0.565789 0.786667
173 M2T 0.565789 0.734177
174 AR6 AR6 0.565657 0.917808
175 80F 0.564815 0.841463
176 A3D 0.564815 0.918919
177 3DH 0.564103 0.773333
178 G5A 0.563218 0.77907
179 YLB 0.563107 0.819277
180 YLC 0.563107 0.839506
181 AMP DBH 0.561224 0.893333
182 MTA 0.558442 0.773333
183 DTP 0.556818 0.905405
184 AHZ 0.554455 0.817073
185 NA7 0.553191 0.958904
186 IOT 0.552381 0.831325
187 ARG AMP 0.55 0.829268
188 ZAS 0.55 0.766234
189 7MD 0.55 0.8625
190 IMO 0.548781 0.929577
191 YLA 0.54717 0.819277
192 NAE 0.544643 0.894737
193 TAD 0.544554 0.884615
194 A5A 0.544444 0.807229
195 2AM 0.544304 0.943662
196 TSB 0.543478 0.819277
197 6RE 0.54321 0.759494
198 6MZ 0.542169 0.930556
199 AYB 0.542056 0.809524
200 NAQ 0.539823 0.871795
201 V3L 0.539326 0.971831
202 AF3 ADP 3PG 0.538462 0.8375
203 ALF ADP 3PG 0.538462 0.8375
204 SSA 0.538462 0.8
205 ZID 0.535088 0.918919
206 LPA AMP 0.533981 0.817073
207 NAD IBO 0.533333 0.917808
208 NAD TDB 0.533333 0.917808
209 VMS 0.532609 0.788235
210 54H 0.532609 0.788235
211 52H 0.532609 0.77907
212 BTX 0.53211 0.841463
213 A3N 0.53012 0.786667
214 J7C 0.53012 0.769231
215 5X8 0.528736 0.763158
216 BT5 0.527273 0.831325
217 53H 0.526882 0.77907
218 8X1 0.526882 0.752809
219 5CA 0.526882 0.8
220 ARU 0.526316 0.860759
221 EAD 0.525862 0.873418
222 RGT 0.525253 0.958904
223 OVE 0.52439 0.905405
224 S4M 0.52381 0.666667
225 7DT 0.522727 0.985714
226 DDS 0.522222 0.878378
227 GDP 0.522222 0.92
228 38V 0.521739 0.886076
229 AVV 0.521277 0.896104
230 NDE 0.521008 0.932432
231 LEU LMS 0.520833 0.730337
232 7MC 0.518868 0.841463
233 DSH 0.518072 0.725
234 MAO 0.517647 0.759036
235 LSS 0.515789 0.761364
236 DSZ 0.515789 0.8
237 NSS 0.515789 0.8
238 P5A 0.515464 0.744444
239 DZD 0.513514 0.884615
240 NWW 0.513158 0.760563
241 O02 0.511111 0.921053
242 NVA LMS 0.510417 0.752809
243 9K8 0.510204 0.714286
244 12D 0.509615 0.785714
245 YLY 0.508772 0.809524
246 M24 0.508772 0.85
247 P1H 0.508333 0.851852
248 5AD 0.506849 0.746479
249 GJV 0.505882 0.75
250 AMP NAD 0.504505 0.905405
251 4TA 0.504505 0.807229
252 NAJ PZO 0.504425 0.848101
253 D4F 0.504348 0.839506
254 KAA 0.5 0.752809
255 GSU 0.5 0.77907
256 71V 0.5 0.907895
257 7D7 0.5 0.743243
258 A3G 0.5 0.8
259 128 0.5 0.776471
260 NDC 0.5 0.871795
261 N0B 0.495726 0.819277
262 NJP 0.495495 0.945946
263 ODP 0.495495 0.909091
264 K3K 0.49505 0.802632
265 2SA 0.494624 0.932432
266 6C6 0.494505 0.881579
267 SFG 0.494382 0.75
268 0WD 0.491071 0.921053
269 LQJ 0.490196 0.917808
270 B1U 0.490196 0.736264
271 YSA 0.490196 0.77907
272 PO4 PO4 A A A A PO4 0.489796 0.902778
273 SAM 0.48913 0.690476
274 6IA 0.48913 0.8375
275 A7D 0.488636 0.776316
276 6FA 0.488 0.841463
277 FB0 0.487805 0.804598
278 NAJ PYZ 0.487179 0.807229
279 J4G 0.484848 0.92
280 A5D 0.483516 0.786667
281 IDP 0.483516 0.918919
282 SA8 0.483516 0.707317
283 PGS 0.483146 0.883117
284 MHZ 0.483146 0.697674
285 DA 0.482353 0.878378
286 NEC 0.482353 0.746667
287 D5M 0.482353 0.878378
288 NIA 0.481928 0.822785
289 Y3J 0.480519 0.726027
290 8PZ 0.480392 0.8
291 FAD 0.480315 0.851852
292 FAS 0.480315 0.851852
293 FDA 0.48 0.833333
294 N6P 0.479592 0.915493
295 GGZ 0.479167 0.825
296 SAI 0.478261 0.734177
297 SAH 0.478261 0.74359
298 NPW 0.477477 0.886076
299 NDP 0.477477 0.921053
300 AAM 0.476744 0.971429
301 AMZ 0.47561 0.916667
302 C2R 0.47561 0.90411
303 SMM 0.473684 0.686047
304 GTP 0.473684 0.92
305 NZQ 0.473214 0.909091
306 TXP 0.473214 0.921053
307 A3S 0.47191 0.810811
308 K3E 0.471154 0.792208
309 NWQ 0.46988 0.739726
310 SFD 0.46875 0.734043
311 AIR 0.468354 0.901408
312 AAT 0.468085 0.707317
313 EEM 0.468085 0.690476
314 7C5 0.466667 0.818182
315 Z5A 0.466667 0.77907
316 J7V 0.466667 0.833333
317 62F 0.465649 0.8625
318 N5O 0.465116 0.763158
319 HDV 0.463158 0.893333
320 KOY 0.462963 0.802632
321 FAY 0.462121 0.8625
322 DCA 0.461538 0.823529
323 A3T 0.461538 0.821918
324 ETB 0.461538 0.833333
325 A6D 0.46 0.722892
326 6K6 0.459184 0.930556
327 QXP 0.459184 0.785714
328 GEK 0.459184 0.7375
329 RFL 0.458647 0.821429
330 S7M 0.458333 0.690476
331 V47 0.458333 0.783784
332 NAP 0.458333 0.945205
333 4YB 0.457944 0.761364
334 CZF 0.457447 0.931507
335 TAP 0.454545 0.907895
336 N5A 0.454545 0.736842
337 FNK 0.454545 0.804598
338 WSA 0.454545 0.788235
339 COA 0.453782 0.823529
340 0T1 0.453782 0.823529
341 101 0.453488 0.878378
342 QBQ 0.452632 0.906667
343 DZ4 0.452632 0.881579
344 XNP 0.452174 0.873418
345 K2R 0.45098 0.88
346 NA0 0.45082 0.932432
347 7RP 0.448276 0.928571
348 K2W 0.447619 0.740741
349 GP3 0.446809 0.921053
350 TM1 0.446602 0.77381
351 APU 0.446429 0.894737
352 KL2 0.445783 0.837838
353 QXG 0.445545 0.776471
354 PUA 0.445378 0.884615
355 V1N 0.443396 0.917808
356 7RA 0.443182 0.957747
357 CAO 0.442623 0.795455
358 30N 0.442623 0.752688
359 COS 0.442623 0.804598
360 AMX 0.442623 0.833333
361 K38 0.442308 0.779221
362 QQY 0.44186 0.815789
363 ACK 0.44186 0.861111
364 649 0.441441 0.744444
365 R2V 0.441176 0.785714
366 0UM 0.44 0.698795
367 NHD 0.439655 0.905405
368 SCO 0.439024 0.823529
369 CMX 0.439024 0.823529
370 GCP 0.438776 0.896104
371 8BR 0.438202 0.906667
372 GNH 0.4375 0.907895
373 3AD 0.4375 0.805556
374 8Q2 0.4375 0.772727
375 O05 0.436893 0.843373
376 NVA 2AD 0.43617 0.759494
377 62X 0.435644 0.666667
378 K2H 0.435644 0.75641
379 ACO 0.435484 0.795455
380 FAM 0.435484 0.804598
381 FCX 0.435484 0.795455
382 9JJ 0.434783 0.8625
383 KY2 0.434343 0.731707
384 9GM 0.434343 0.896104
385 GNP 0.434343 0.896104
386 K3H 0.433962 0.75
387 NMX 0.433071 0.76087
388 MGP 0.43299 0.884615
389 26A 0.432099 0.763158
390 HAX 0.432 0.804598
391 K15 0.431373 0.682353
392 9BG 0.431034 0.896104
393 DG1 0.430894 0.921053
394 1DG 0.430894 0.921053
395 QQX 0.430233 0.805195
396 2VA 0.430108 0.8
397 S8M 0.43 0.759494
398 2MC 0.429688 0.769231
399 PLP AAD 0.428571 0.733333
400 6G0 0.428571 0.884615
401 3KK 0.428571 0.804598
402 P5F 0.428571 0.823529
403 NAD BBN 0.428571 0.841463
404 FYN 0.428571 0.823529
405 KGA 0.427481 0.744681
406 7L1 0.427419 0.795455
407 K2K 0.427184 0.7375
408 NX8 0.427083 0.716049
409 RMB 0.426966 0.873239
410 AS 0.426966 0.833333
411 FAI 0.426966 0.916667
412 KGJ 0.426357 0.752688
413 KYB 0.425743 0.731707
414 1RB 0.425287 0.885714
415 KGP 0.425197 0.729167
416 OXK 0.425197 0.804598
417 COK 0.425197 0.804598
418 SOP 0.425197 0.804598
419 MCD 0.425197 0.804598
420 CA6 0.425197 0.729167
421 YZS 0.425197 0.729167
422 G1R 0.424242 0.907895
423 CC5 0.423077 0.816901
424 SXZ 0.423077 0.710843
425 F2N 0.422535 0.813953
426 NAD CJ3 0.422222 0.811765
427 EO7 0.422222 0.788235
428 ANZ 0.422018 0.8
429 CMC 0.421875 0.804598
430 CO6 0.421875 0.804598
431 1VU 0.421875 0.795455
432 ZDA 0.421053 0.864865
433 GKE 0.420561 0.884615
434 GDC 0.420561 0.884615
435 GDD 0.420561 0.884615
436 NFD 0.420168 0.883117
437 GSP 0.42 0.873418
438 D3Y 0.42 0.789474
439 MC4 0.419847 0.76087
440 3D1 0.419753 0.773333
441 3L1 0.419753 0.773333
442 FA9 0.41958 0.864198
443 G 0.419355 0.906667
444 5GP 0.419355 0.906667
445 KB1 0.419048 0.698795
446 KY5 0.419048 0.725
447 SCD 0.418605 0.823529
448 CAJ 0.418605 0.804598
449 2BA 0.417582 0.915493
450 CMP 0.417582 0.901408
451 SO8 0.416667 0.789474
452 VRT 0.416667 0.769231
453 KFV 0.416667 0.736842
454 N01 0.416667 0.905405
455 1HE 0.415385 0.786517
456 3HC 0.415385 0.813953
457 BCO 0.415385 0.804598
458 MLC 0.415385 0.804598
459 IVC 0.415385 0.813953
460 A1S 0.415385 0.804598
461 NMN AMP PO4 0.415254 0.87013
462 2FA 0.414634 0.813333
463 MGO 0.414141 0.860759
464 FAJ 0.413793 0.831325
465 3NZ 0.413462 0.782051
466 KY8 0.413462 0.728395
467 Q34 0.412281 0.674419
468 LCV 0.412214 0.721649
469 COO 0.412214 0.804598
470 MCA 0.412214 0.795455
471 CAA 0.412214 0.813953
472 SO5 0.412214 0.721649
473 YE1 0.412214 0.813953
474 GAV 0.411765 0.884615
475 PRT 0.411215 0.931507
476 JLN 0.411111 0.890411
477 P2P 0.411111 0.902778
478 OZP 0.410714 0.728395
479 NWZ 0.410526 0.703704
480 ZZB 0.410256 0.77381
481 CNV FAD 0.410072 0.793103
482 YXR 0.409091 0.729167
483 2CP 0.409091 0.795455
484 YXS 0.409091 0.729167
485 SCA 0.409091 0.804598
486 SP1 0.409091 0.842105
487 RP1 0.409091 0.842105
488 103 0.409091 0.837838
489 PAX 0.408 0.829268
490 KYE 0.407407 0.714286
491 FAD NBT 0.407143 0.75
492 BYC 0.406015 0.804598
493 1GZ 0.406015 0.795455
494 IRC 0.406015 0.813953
495 CA8 0.406015 0.729167
496 3CP 0.406015 0.804598
497 COW 0.406015 0.795455
498 HGG 0.406015 0.804598
499 COF 0.406015 0.786517
500 2KQ 0.406015 0.786517
501 G2P 0.405941 0.884615
502 KXW 0.405405 0.707317
503 SLU 0.404959 0.770115
504 RBZ 0.404494 0.849315
505 1CZ 0.404412 0.795455
506 Q2P 0.403361 0.674419
507 COA FLC 0.403226 0.790698
508 FAQ 0.402985 0.804598
509 BCA 0.402985 0.795455
510 4CA 0.402985 0.795455
511 MTP 0.402439 0.730769
512 8OD 0.402062 0.945205
513 HZ2 0.401786 0.731707
514 CO7 0.401515 0.804598
515 ENQ 0.4 0.916667
516 GMV 0.4 0.896104
517 HXC 0.4 0.786517
518 G2R 0.4 0.884615
519 GRA 0.4 0.804598
520 HF7 0.4 0.893333
Similar Ligands (3D)
Ligand no: 1; Ligand: 3PG; Similar ligands found: 859
No: Ligand Similarity coefficient
1 OSE 0.9871
2 HPV 0.9809
3 GPJ 0.9759
4 13P 0.9735
5 MSL 0.9693
6 AKG 0.9684
7 PGH 0.9681
8 GP9 0.9674
9 GPF 0.9673
10 LTL 0.9653
11 2PG 0.9635
12 E4P 0.9626
13 CYX 0.9622
14 QMP 0.9618
15 OGA 0.9601
16 CHH 0.9598
17 CCE 0.9583
18 ZGL 0.9554
19 PSE 0.9551
20 ACH 0.9550
21 CCD 0.9547
22 2HG 0.9544
23 S2G 0.9543
24 AT3 0.9541
25 129 0.9541
26 DGN 0.9528
27 7OD 0.9528
28 PMF 0.9520
29 GLU 0.9519
30 LUQ 0.9518
31 DGL 0.9511
32 4LR 0.9508
33 GVM 0.9506
34 GLN 0.9504
35 IP8 0.9494
36 152 0.9481
37 PEP 0.9478
38 NM2 0.9475
39 2IT 0.9474
40 9ON 0.9471
41 2JJ 0.9470
42 MHO 0.9468
43 DS0 0.9467
44 1SA 0.9457
45 3S5 0.9442
46 3LR 0.9440
47 URQ 0.9421
48 1X4 0.9420
49 SME 0.9408
50 KPA 0.9402
51 SYC 0.9401
52 PPR 0.9401
53 PC 0.9399
54 B85 0.9397
55 ONL 0.9393
56 GZ3 0.9393
57 MES 0.9388
58 NM3 0.9384
59 RNT 0.9382
60 GGL 0.9379
61 TPO 0.9366
62 RTK 0.9364
63 HPS 0.9347
64 TSU 0.9342
65 HBU 0.9341
66 G2H 0.9340
67 XSP 0.9338
68 QFJ 0.9336
69 4NG 0.9334
70 2FT 0.9334
71 3SL 0.9333
72 O45 0.9331
73 1SH 0.9326
74 AMS 0.9319
75 GUA 0.9318
76 TIH 0.9312
77 F98 0.9309
78 DLY 0.9308
79 LFC 0.9307
80 DHI 0.9299
81 HHI 0.9299
82 NSB 0.9297
83 KDG 0.9295
84 SG3 0.9294
85 SPV 0.9294
86 FOM 0.9293
87 HIS 0.9291
88 KMH 0.9286
89 DYT 0.9276
90 5XB 0.9273
91 URO 0.9273
92 DAL DAL 0.9270
93 MLE 0.9268
94 SAN 0.9264
95 P22 0.9262
96 8GL 0.9259
97 HFA 0.9256
98 DIR 0.9252
99 NFA 0.9246
100 B40 0.9245
101 7C3 0.9243
102 0VT 0.9242
103 RUJ 0.9239
104 DPN 0.9238
105 PAC 0.9230
106 RAT 0.9228
107 KPC 0.9226
108 4J8 0.9224
109 5OY 0.9224
110 9GB 0.9224
111 KVV 0.9223
112 SHI 0.9223
113 DHM 0.9221
114 PHE 0.9218
115 GWM 0.9216
116 PMB 0.9212
117 4SX 0.9210
118 HF2 0.9208
119 Q9Z 0.9207
120 MAJ 0.9207
121 FBS 0.9205
122 URP 0.9204
123 8U3 0.9203
124 GLY GLY 0.9201
125 HGA 0.9199
126 ALA ALA 0.9195
127 11C 0.9192
128 AAS 0.9191
129 4FH 0.9190
130 S2P 0.9189
131 6JN 0.9187
132 XXG 0.9186
133 MF3 0.9185
134 3YP 0.9183
135 KVP 0.9182
136 BEZ 0.9181
137 SSC 0.9179
138 9YT 0.9177
139 51R 0.9177
140 4WL 0.9173
141 FBW 0.9165
142 TAR 0.9162
143 AOS 0.9161
144 SYM 0.9160
145 NF3 0.9160
146 XIZ 0.9160
147 RP3 0.9157
148 EKZ 0.9157
149 R67 0.9155
150 B3U 0.9155
151 PO6 0.9155
152 OKG 0.9153
153 MUC 0.9151
154 HSO 0.9150
155 CCU 0.9150
156 NLE 0.9148
157 DZA 0.9147
158 7N0 0.9147
159 IZC 0.9147
160 9J3 0.9146
161 LYN 0.9146
162 UN1 0.9143
163 FB2 0.9141
164 2AS 0.9140
165 RNS 0.9139
166 EVF 0.9139
167 OEG 0.9139
168 AL0 0.9136
169 PBC 0.9135
170 MZT 0.9134
171 FK8 0.9134
172 7BC 0.9132
173 LYS 0.9132
174 TCA 0.9131
175 PCA 0.9129
176 DXG 0.9128
177 FCR 0.9128
178 TLA 0.9128
179 X1S 0.9126
180 4NC 0.9125
181 93K 0.9123
182 3HG 0.9121
183 SRT 0.9119
184 DHB 0.9119
185 9X6 0.9118
186 DAS 0.9112
187 PZI 0.9110
188 QY9 0.9110
189 HIC 0.9110
190 GLO 0.9109
191 MEQ 0.9109
192 36E 0.9108
193 HCI 0.9108
194 SD4 0.9107
195 HL5 0.9106
196 R2P 0.9102
197 BEN 0.9101
198 ORN 0.9100
199 0L1 0.9099
200 4HP 0.9098
201 OVV 0.9097
202 8K2 0.9097
203 OHP 0.9096
204 CS2 0.9093
205 3OC 0.9092
206 CFI 0.9091
207 GAB 0.9091
208 GJZ 0.9090
209 ASP 0.9088
210 MET 0.9088
211 LX1 0.9087
212 3HB 0.9087
213 X0V 0.9085
214 MYJ 0.9085
215 AFS 0.9083
216 K7M 0.9082
217 R9S 0.9082
218 MLT 0.9081
219 4P5 0.9080
220 3PP 0.9079
221 CXP 0.9079
222 GCO 0.9078
223 FOC 0.9078
224 XYL 0.9076
225 RB5 0.9076
226 RB0 0.9076
227 INO 0.9076
228 4LW 0.9073
229 MED 0.9073
230 S8V 0.9072
231 MAH 0.9071
232 M45 0.9071
233 ASN 0.9071
234 BAM 0.9069
235 ESX 0.9068
236 7UC 0.9068
237 LEU 0.9067
238 TPA 0.9064
239 M4S 0.9063
240 2HO 0.9063
241 OOG 0.9061
242 ESP 0.9060
243 A3M 0.9060
244 RBL 0.9059
245 ISZ 0.9059
246 K5W 0.9058
247 FB1 0.9057
248 DAR 0.9057
249 8EW 0.9057
250 R9M 0.9053
251 PSJ 0.9053
252 4ZA 0.9053
253 EOU 0.9052
254 3QM 0.9051
255 SJ5 0.9050
256 AOT 0.9050
257 MHN 0.9049
258 P9P 0.9049
259 PPY 0.9048
260 PHU 0.9045
261 ASC 0.9045
262 XCZ 0.9044
263 BHU 0.9044
264 ACA 0.9043
265 6PC 0.9043
266 PAH 0.9042
267 M4T 0.9042
268 NCA 0.9042
269 9RW 0.9039
270 Q02 0.9039
271 QSB 0.9036
272 J0Z 0.9035
273 HPN 0.9033
274 CRN 0.9032
275 3NT 0.9032
276 MTL 0.9031
277 N4B 0.9029
278 SAF 0.9027
279 1AE 0.9026
280 268 0.9026
281 NIO 0.9026
282 PAB 0.9025
283 NYL 0.9025
284 98J 0.9025
285 PIY 0.9024
286 NPO 0.9024
287 RSO 0.9024
288 IOM 0.9023
289 ONH 0.9022
290 LMR 0.9021
291 TYL 0.9019
292 URS 0.9019
293 I38 0.9017
294 BHO 0.9017
295 53C 0.9016
296 SPA 0.9016
297 41K 0.9016
298 K6V 0.9016
299 IXW 0.9014
300 CHB 0.9014
301 2D8 0.9012
302 BNF 0.9011
303 173 0.9011
304 DCO 0.9011
305 FM4 0.9010
306 SMN 0.9010
307 2O6 0.9009
308 AEG 0.9009
309 AHN 0.9009
310 TIU 0.9008
311 3FH 0.9007
312 HYP 0.9006
313 8OZ 0.9005
314 OAA 0.9004
315 4LV 0.9004
316 OEM 0.9002
317 OAF 0.9002
318 RMN 0.9002
319 J9N 0.9001
320 I4B 0.9001
321 M74 0.8998
322 ROR 0.8998
323 HSX 0.8998
324 SOR 0.8997
325 ITN 0.8997
326 PHB 0.8995
327 5LD 0.8994
328 UNU 0.8991
329 HY1 0.8991
330 MSR 0.8991
331 KMT 0.8991
332 JAW 0.8987
333 FBM 0.8987
334 2HC 0.8986
335 HX4 0.8985
336 PRA 0.8985
337 5WZ 0.8984
338 P7Y 0.8983
339 PIM 0.8983
340 A5E 0.8983
341 ARG 0.8981
342 SKG 0.8981
343 SHV 0.8978
344 SDD 0.8978
345 EDR 0.8978
346 P80 0.8977
347 AHB 0.8977
348 TEO 0.8976
349 Q07 0.8976
350 NCT 0.8975
351 AG2 0.8973
352 AC6 0.8973
353 BHH 0.8972
354 DHS 0.8972
355 F9P 0.8971
356 ORO 0.8967
357 49F 0.8965
358 6FZ 0.8964
359 IHB 0.8964
360 3AB 0.8964
361 9TW 0.8964
362 449 0.8963
363 IVL 0.8961
364 2BX 0.8960
365 9SE 0.8960
366 Q03 0.8960
367 0HN 0.8960
368 XX2 0.8958
369 1F1 0.8958
370 GLR 0.8957
371 HJH 0.8957
372 4CS 0.8956
373 DBH 0.8956
374 GZL 0.8955
375 OK7 0.8954
376 ICB 0.8953
377 LNO 0.8952
378 6NT 0.8950
379 AMQ 0.8950
380 2ZM 0.8950
381 J9T 0.8948
382 SNU 0.8945
383 QDK 0.8945
384 3BU 0.8943
385 7WG 0.8942
386 4MA 0.8942
387 6TZ 0.8941
388 IFP 0.8941
389 SS1 0.8941
390 ILO 0.8940
391 GRF 0.8939
392 NIZ 0.8939
393 DE5 0.8938
394 LPK 0.8938
395 GRO 0.8938
396 BL0 0.8937
397 P72 0.8936
398 TZP 0.8934
399 F4E 0.8934
400 ABF 0.8933
401 650 0.8933
402 6NI 0.8932
403 DOR 0.8931
404 LLQ 0.8931
405 CMS 0.8930
406 5DL 0.8929
407 YCP 0.8928
408 COI 0.8927
409 DHY 0.8926
410 QUS 0.8926
411 RP5 0.8925
412 2CO 0.8925
413 P58 0.8925
414 BZ2 0.8924
415 R20 0.8924
416 E79 0.8924
417 PBA 0.8923
418 5NI 0.8922
419 C5A 0.8920
420 1FD 0.8919
421 HIO 0.8919
422 JDN 0.8918
423 L14 0.8917
424 MJ2 0.8917
425 OMD 0.8916
426 L5V 0.8915
427 BNL 0.8915
428 HHH 0.8915
429 3C4 0.8915
430 KTA 0.8915
431 SOL 0.8915
432 XUL 0.8914
433 0OC 0.8914
434 CPZ 0.8913
435 4TB 0.8913
436 S7A 0.8913
437 APG 0.8912
438 PBZ 0.8912
439 M6H 0.8911
440 UFV 0.8910
441 PH3 0.8910
442 3HP 0.8910
443 MD0 0.8909
444 M58 0.8909
445 1DV 0.8908
446 PRO GLY 0.8907
447 RHU 0.8907
448 0A9 0.8904
449 EN1 0.8904
450 PLU 0.8903
451 4JC 0.8902
452 ENV 0.8901
453 DQY 0.8899
454 QSC 0.8897
455 FA1 0.8896
456 NLP 0.8895
457 2RH 0.8895
458 XRX 0.8894
459 LQ2 0.8893
460 JB8 0.8892
461 3NY 0.8892
462 LY0 0.8892
463 DII 0.8891
464 BRH 0.8891
465 P9E 0.8891
466 36Y 0.8891
467 PEL 0.8890
468 A13 0.8890
469 PHI 0.8890
470 1BN 0.8890
471 4NZ 0.8889
472 G8M 0.8889
473 FBV 0.8889
474 K6H 0.8888
475 7A8 0.8888
476 SKF 0.8888
477 MEV 0.8888
478 1L5 0.8887
479 Q04 0.8887
480 HHA 0.8887
481 1Y6 0.8885
482 SVD 0.8885
483 HDH 0.8885
484 PFF 0.8883
485 SIN 0.8883
486 A09 0.8882
487 OCA 0.8881
488 HPP 0.8881
489 CIZ 0.8880
490 TYR 0.8879
491 DTY 0.8879
492 TAG 0.8878
493 TYE 0.8878
494 AZM 0.8878
495 LR5 0.8877
496 IAC 0.8876
497 TZF 0.8874
498 6OT 0.8873
499 LVD 0.8873
500 FBU 0.8872
501 K34 0.8871
502 HQJ 0.8871
503 JYD 0.8871
504 258 0.8871
505 HL4 0.8871
506 Z82 0.8870
507 ANN 0.8870
508 IOS 0.8870
509 8SZ 0.8870
510 HDL 0.8870
511 LLH 0.8869
512 FBF 0.8868
513 61M 0.8868
514 PNZ 0.8868
515 3MV 0.8866
516 N9J 0.8866
517 UGC 0.8865
518 GOJ 0.8864
519 3BZ 0.8864
520 3AE 0.8863
521 L99 0.8863
522 CXF 0.8862
523 5FX 0.8862
524 88L 0.8862
525 GLL 0.8860
526 DBX 0.8860
527 FAN 0.8860
528 GYE 0.8859
529 911 0.8858
530 GLY ALA 0.8857
531 DI6 0.8857
532 EHM 0.8856
533 MP5 0.8855
534 HBD 0.8855
535 BTM 0.8852
536 069 0.8851
537 LT2 0.8849
538 PAF 0.8848
539 Q06 0.8847
540 IWT 0.8847
541 ASO 0.8846
542 F06 0.8846
543 KBZ 0.8846
544 CIR 0.8845
545 40E 0.8845
546 D1X 0.8845
547 BNS 0.8844
548 SKM 0.8842
549 3A9 0.8841
550 X1R 0.8841
551 FUD 0.8840
552 YZM 0.8840
553 2AL 0.8840
554 1P3 0.8840
555 4NB 0.8839
556 CLT 0.8839
557 PPT 0.8839
558 3PO 0.8839
559 MPV 0.8837
560 LSQ 0.8837
561 SS2 0.8837
562 3PF 0.8836
563 KOJ 0.8836
564 S7J 0.8836
565 OTR 0.8836
566 4PN 0.8835
567 GGB 0.8835
568 SNE 0.8834
569 0BP 0.8834
570 DLT 0.8834
571 M3H 0.8832
572 LNR 0.8832
573 GVG 0.8832
574 HC4 0.8831
575 E5X 0.8831
576 XM0 0.8830
577 PIS 0.8830
578 ABI 0.8828
579 A29 0.8827
580 NNO 0.8826
581 6DP 0.8826
582 NXA 0.8825
583 KBB 0.8823
584 3CR 0.8823
585 XLS 0.8822
586 0HO 0.8821
587 GDE 0.8821
588 FQI 0.8820
589 4A3 0.8817
590 2F6 0.8816
591 ISA 0.8815
592 97T 0.8815
593 HYA 0.8813
594 LGT 0.8811
595 C1M 0.8811
596 1DJ 0.8810
597 KPL 0.8809
598 MSE 0.8808
599 TX4 0.8808
600 RJY 0.8806
601 OXC 0.8806
602 SHO 0.8805
603 XXP 0.8805
604 NMJ 0.8804
605 J9Q 0.8804
606 EXD 0.8804
607 DMV 0.8802
608 PEA 0.8801
609 7VP 0.8796
610 SW7 0.8794
611 FHB 0.8794
612 8WO 0.8793
613 ISD 0.8791
614 6NA 0.8790
615 SOE 0.8788
616 MDN 0.8787
617 ALE 0.8787
618 AM4 0.8786
619 CNL 0.8786
620 9RH 0.8786
621 HNK 0.8785
622 WCE 0.8785
623 DHK 0.8784
624 MVH 0.8784
625 P81 0.8783
626 JF6 0.8782
627 MAE 0.8780
628 271 0.8779
629 AMH 0.8779
630 HTX 0.8779
631 API 0.8778
632 POP 0.8777
633 PPV 0.8776
634 KYN 0.8775
635 6LW 0.8775
636 263 0.8774
637 2HU 0.8774
638 TEG 0.8771
639 YRL 0.8770
640 FV1 0.8769
641 AHC 0.8768
642 FSG 0.8767
643 LAO 0.8767
644 PG0 0.8767
645 UA5 0.8764
646 MXN 0.8764
647 FUM 0.8763
648 PEZ 0.8762
649 3HM 0.8761
650 S0W 0.8760
651 4CM 0.8759
652 6M4 0.8759
653 SC2 0.8758
654 ICF 0.8758
655 52C 0.8758
656 3V4 0.8758
657 2PN 0.8757
658 AEF 0.8756
659 CH9 0.8755
660 XDK 0.8754
661 23J 0.8753
662 VKC 0.8752
663 YOF 0.8752
664 AHR 0.8750
665 DA4 0.8749
666 ZXD 0.8749
667 BPN 0.8748
668 XYH 0.8746
669 X8Z 0.8744
670 92K 0.8741
671 S24 0.8741
672 JLZ 0.8741
673 DAV 0.8740
674 0CG 0.8738
675 4MV 0.8737
676 ENO 0.8736
677 TZE 0.8735
678 2LP 0.8735
679 QIC 0.8735
680 GBN 0.8734
681 826 0.8733
682 Y4L 0.8732
683 TMH 0.8732
684 LDP 0.8731
685 X1P 0.8731
686 N8P 0.8730
687 ILE 0.8730
688 CIT 0.8729
689 5LA 0.8729
690 I1E 0.8728
691 JRB 0.8724
692 Z13 0.8723
693 CFA 0.8723
694 KDF 0.8722
695 HA5 0.8721
696 VGL 0.8721
697 HQ9 0.8720
698 RLG 0.8717
699 HNL 0.8717
700 FEH 0.8717
701 PCT 0.8716
702 4V2 0.8715
703 54D 0.8714
704 YPN 0.8714
705 ZBT 0.8712
706 RBJ 0.8711
707 E0O 0.8711
708 4BZ 0.8710
709 HX2 0.8707
710 SNO 0.8707
711 SN4 0.8706
712 CDV 0.8706
713 STT 0.8705
714 16D 0.8705
715 717 0.8704
716 7MU 0.8703
717 SHF 0.8702
718 92G 0.8701
719 4FA 0.8701
720 FHC 0.8701
721 AVI 0.8698
722 L22 0.8698
723 A5P 0.8697
724 MT2 0.8697
725 3AL 0.8696
726 56D 0.8696
727 XRG 0.8695
728 RNO 0.8695
729 9FE 0.8694
730 505 0.8693
731 RUY 0.8692
732 1LN 0.8692
733 RIB 0.8689
734 PJL 0.8689
735 8GC 0.8688
736 KTW 0.8688
737 HDA 0.8687
738 MZM 0.8685
739 5HN 0.8682
740 PG3 0.8682
741 H95 0.8681
742 FLC 0.8680
743 2EH 0.8679
744 FP1 0.8677
745 PKU 0.8675
746 DHC 0.8675
747 ESI 0.8672
748 NK1 0.8670
749 BDF 0.8668
750 FBJ 0.8667
751 F31 0.8667
752 OVM 0.8666
753 2NP 0.8664
754 1PS 0.8664
755 1A7 0.8663
756 9BF 0.8663
757 LCN 0.8663
758 4XV 0.8663
759 2BG 0.8661
760 4NM 0.8660
761 EYK 0.8658
762 4RW 0.8657
763 DMJ 0.8657
764 EUE 0.8656
765 GO2 0.8655
766 PD2 0.8655
767 TZM 0.8650
768 THE 0.8650
769 XBT 0.8650
770 UY7 0.8650
771 ZZU 0.8649
772 4P0 0.8649
773 HZP 0.8649
774 GTK 0.8648
775 174 0.8646
776 EYV 0.8645
777 TT4 0.8645
778 HSE 0.8645
779 PTO 0.8643
780 DX5 0.8642
781 CXH 0.8641
782 5XC 0.8641
783 MNN 0.8640
784 FCN 0.8638
785 M44 0.8637
786 PDC 0.8637
787 0JD 0.8636
788 JZ7 0.8636
789 S0E 0.8635
790 1WC 0.8635
791 F12 0.8634
792 1M2 0.8634
793 AI2 0.8633
794 DHR 0.8633
795 HSM 0.8632
796 TZL 0.8629
797 PJW 0.8629
798 791 0.8628
799 BZ3 0.8628
800 TNE 0.8624
801 40F 0.8623
802 GVY 0.8623
803 3ID 0.8622
804 XYS 0.8622
805 NMG 0.8621
806 OPE 0.8620
807 N2Z 0.8619
808 264 0.8617
809 FAC 0.8617
810 BSX 0.8617
811 1Z6 0.8613
812 MAN 0.8610
813 IT9 0.8610
814 OXZ 0.8604
815 UYA 0.8600
816 JFJ 0.8598
817 C82 0.8597
818 15N 0.8597
819 AC0 0.8594
820 KNA 0.8594
821 DCL 0.8593
822 3MB 0.8593
823 RIP 0.8592
824 RUU 0.8591
825 1XA 0.8590
826 H42 0.8590
827 DDU 0.8589
828 M6W 0.8589
829 0W1 0.8585
830 261 0.8584
831 F4K 0.8582
832 BVA 0.8581
833 AX3 0.8581
834 IFL 0.8579
835 CEE 0.8578
836 3IT 0.8577
837 M5E 0.8575
838 7VD 0.8574
839 JZ4 0.8573
840 0MK 0.8573
841 GXL 0.8572
842 A9P 0.8572
843 428 0.8569
844 I3E 0.8564
845 TB6 0.8563
846 3ZB 0.8560
847 6KT 0.8559
848 6CS 0.8559
849 PRZ 0.8558
850 ONR 0.8551
851 259 0.8547
852 XQI 0.8546
853 GG6 0.8542
854 UNJ 0.8536
855 BRT 0.8533
856 9X7 0.8525
857 4HM 0.8513
858 46P 0.8507
859 DQA 0.8506
Ligand no: 2; Ligand: ADP; Similar ligands found: 65
No: Ligand Similarity coefficient
1 BMQ 1.0000
2 ADP ALF 0.9881
3 ADP AF3 0.9881
4 ADP VO4 0.9881
5 DGI 0.9763
6 GDP MG 0.9684
7 GDP BEF 0.9644
8 ALF GDP 0.9644
9 GDP ALF 0.9644
10 BEF GDP 0.9610
11 GDP AF3 0.9610
12 NYZ 0.9560
13 M7G 0.9527
14 GP2 0.9485
15 UDP 0.9410
16 G8D 0.9364
17 TYD 0.9340
18 CDP 0.9333
19 GCQ 0.9290
20 8GD 0.9252
21 CDP MG 0.9246
22 DUD 0.9233
23 YYY 0.9230
24 D4D 0.9127
25 KB7 0.9099
26 DUN 0.9081
27 TBD 0.9046
28 IMP 0.9020
29 IRP 0.8992
30 MGT 0.8986
31 FMP 0.8980
32 UDP UDP 0.8979
33 G3D 0.8938
34 UC5 0.8921
35 ALF 5GP 0.8902
36 7XL 0.8868
37 GTP MG 0.8843
38 XMP 0.8838
39 IMU 0.8829
40 MOD 0.8822
41 C8M 0.8795
42 A8M 0.8784
43 8OP 0.8777
44 DG 0.8750
45 DGP 0.8750
46 MSP 0.8735
47 G7M 0.8734
48 6MA 0.8734
49 6CG 0.8732
50 PFU 0.8701
51 FZT 0.8697
52 DBG 0.8693
53 DGT 0.8685
54 FZQ 0.8683
55 MZP 0.8680
56 93A 0.8679
57 S3N 0.8673
58 0RC 0.8661
59 TKW 0.8651
60 5FU 0.8637
61 FNU 0.8616
62 FZK 0.8607
63 UTP 0.8603
64 UP6 0.8572
65 NMN 0.8537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4O33; Ligand: TZN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4o33.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4O33; Ligand: 3PG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4o33.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
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