Receptor
PDB id Resolution Class Description Source Keywords
1O4F 2 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79073. HOMO SAPIENS SH2 DOMAIN FRAGMENT APPROACH SIGNALING PROTEIN
Ref.: REQUIREMENTS FOR SPECIFIC BINDING OF LOW AFFINITY INHIBITOR FRAGMENTS TO THE SH2 DOMAIN OF (PP60)SRC ARE IDENTICAL TO THOSE FOR HIGH AFFINITY BINDING OF FULL LENGTH INHIBITORS. J.MED.CHEM. V. 46 5184 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
790 A:300;
Valid;
none;
ic50 = 0.3 mM
229.17 C9 H12 N O4 P c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O44 1.7 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85052 HOMO SAPIENS SH2 DOMAIN FRAGMENT APPROACH SIGNALING PROTEIN
Ref.: REQUIREMENTS FOR SPECIFIC BINDING OF LOW AFFINITY INHIBITOR FRAGMENTS TO THE SH2 DOMAIN OF (PP60)SRC ARE IDENTICAL TO THOSE FOR HIGH AFFINITY BINDING OF FULL LENGTH INHIBITORS. J.MED.CHEM. V. 46 5184 2003
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1O48 ic50 = 450 nM 853 C33 H35 N3 O7 CC(=O)N[C@....
2 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
3 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
4 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
5 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
6 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
7 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
8 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
9 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
10 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
11 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
12 1SHA - PTR VAL PRO MET LEU n/a n/a
13 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
14 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
15 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
16 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
17 1A1A - ACE PTH GLU DIP n/a n/a
18 1SHB - PTR LEU ARG VAL ALA n/a n/a
19 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
20 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
21 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
22 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
23 1O4J ic50 = 4.4 mM IS2 C9 H12 N O4 P CCc1ccc(cc....
24 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
25 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
26 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
27 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
28 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
29 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
30 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
31 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
32 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
33 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
34 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
35 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
36 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1O48 ic50 = 450 nM 853 C33 H35 N3 O7 CC(=O)N[C@....
2 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
3 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
4 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
5 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
6 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
7 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
8 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
9 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
10 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
11 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
12 1SHA - PTR VAL PRO MET LEU n/a n/a
13 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
14 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
15 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
16 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
17 1A1A - ACE PTH GLU DIP n/a n/a
18 1SHB - PTR LEU ARG VAL ALA n/a n/a
19 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
20 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
21 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
22 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
23 1O4J ic50 = 4.4 mM IS2 C9 H12 N O4 P CCc1ccc(cc....
24 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
25 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
26 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
27 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
28 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
29 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
30 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
31 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
32 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
33 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
34 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
35 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
36 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
37 1LKL Kd = 1540 nM ACE PTR GLU GLU GLY n/a n/a
38 1FBZ - CC1 C30 H41 N3 O10 P2 CC(=O)N[C@....
39 1IJR - CC0 C29 H38 N3 O10 P C[C@@H](c1....
40 1CWE - ACE GLN PM3 GLU GLU ILE PRO n/a n/a
50% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 3S9K - CIT C6 H8 O7 C(C(=O)O)C....
2 3IMJ Ka = 2100000 M^-1 AYI C22 H32 N5 O9 P CC[C@H](C)....
3 3IN8 Ka = 400000 M^-1 FYI C22 H34 N5 O9 P CC[C@H](C)....
4 1BMB ic50 = 0.7 uM LYS PRO PHE PTR VAL ASN VAL GLU PHE n/a n/a
5 3KFJ Ka = 300000 M^-1 YEN C21 H30 N5 O11 P CNC(=O)C[C....
6 6WM1 Ka = 26000000 M^-1 ACE PTR 02K ASN PRA n/a n/a
7 6WO2 Ka = 16000000 M^-1 ACE PTR 02K ASN U67 n/a n/a
8 1FYR ic50 = 2.4 uM ACE PTR VAL ASN VAL n/a n/a
9 3S8L Ka = 430000 M^-1 ACE PTR 192 ASN NH2 n/a n/a
10 3IN7 Ka = 1200000 M^-1 AYQ C21 H29 N6 O10 P CNC(=O)[C@....
11 4P9V Kd = 0.154 uM PHQ PTR 02K ASN NH2 n/a n/a
12 3OVE Ka = 3700000 M^-1 ACT PTR 03E ASN NH2 n/a n/a
13 1BM2 ic50 = 0.11 uM ACE SLZ PTR VAL ASN VAL PRO n/a n/a
14 4P9Z Kd = 87.7 nM NMI PTR 02K ASN NH2 n/a n/a
15 3OV1 Ka = 160000 M^-1 ACT PTR 1AC ASN NH2 n/a n/a
16 2HUW Ka = 1000000 M^-1 YVN C21 H30 N5 O9 P CC(C)[C@@H....
17 3N8M Ka = 6500000 M^-1 6NA PTR VAL ASN VAL 9PR n/a n/a
18 3S8N Ka = 1610000 M^-1 ACE PTR AC5 ASN NH2 n/a n/a
19 3IMD Ka = 560000 M^-1 FYQ C21 H31 N6 O10 P CNC(=O)C[C....
20 3N84 - PTR VAL ASN VAL PRO 011 n/a n/a
21 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
22 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
23 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
24 1SHA - PTR VAL PRO MET LEU n/a n/a
25 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
26 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
27 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
28 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
29 1A1A - ACE PTH GLU DIP n/a n/a
30 1SHB - PTR LEU ARG VAL ALA n/a n/a
31 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
32 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
33 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
34 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
35 1O4J ic50 = 4.4 mM IS2 C9 H12 N O4 P CCc1ccc(cc....
36 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
37 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
38 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
39 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
40 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
41 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
42 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
43 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
44 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
45 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
46 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
47 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
48 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
49 3MXY Kd = 384.8 nM GLN ASN GLY PTR VAL ASN PRO THR TYR n/a n/a
50 3WA4 - SER ASP PTR MET ASN MET THR PRO n/a n/a
51 3MXC Kd = 286.1 nM GLN ASN GLY PTR GLU ASN PRO THR TYR n/a n/a
52 3N7Y Ka = 10000000 M^-1 PTR VAL ASN VAL 011 n/a n/a
53 2AOB - S1S C41 H46 N4 O10 c1ccc2c(c1....
54 1JYR Kd = 18 nM ALA PRO SER PTR VAL ASN VAL GLN ASN n/a n/a
55 1ZFP ic50 = 26 nM BE2 GLU PTR ILE ASN GLN NH2 n/a n/a
56 2AOA - S1S C41 H46 N4 O10 c1ccc2c(c1....
57 1TZE ic50 = 0.148 uM LYS PRO PHE PTR VAL ASN VAL NH2 n/a n/a
58 1CWD - PRO GLU GLY ASP PM3 GLU GLU VAL LEU n/a n/a
59 1LKL Kd = 1540 nM ACE PTR GLU GLU GLY n/a n/a
60 1FBZ - CC1 C30 H41 N3 O10 P2 CC(=O)N[C@....
61 1IJR - CC0 C29 H38 N3 O10 P C[C@@H](c1....
62 1CWE - ACE GLN PM3 GLU GLU ILE PRO n/a n/a
63 5GJI - SER ASP PTR MET ASN MET THR PRO n/a n/a
64 5GJH - SER ASP PTR MET ASN MET THR PRO n/a n/a
65 1R1S - ACE PRO ASP PTR GLU ASN LEU n/a n/a
66 1R1P - ACE ASP ASP PTR VAL ASN VAL n/a n/a
67 1R1Q - ACE ARG GLU PTR VAL ASN VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 790; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 790 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 790; Similar ligands found: 306
No: Ligand Similarity coefficient
1 QMS 0.9938
2 M3Q 0.9834
3 6DP 0.9617
4 IOS 0.9572
5 NLA 0.9513
6 I59 0.9474
7 5OF 0.9425
8 IAC 0.9410
9 KED 0.9369
10 8GK 0.9351
11 ZON 0.9344
12 MQB 0.9340
13 FXH 0.9336
14 67Y 0.9324
15 NVU 0.9299
16 BK9 0.9277
17 67X 0.9262
18 TSR 0.9259
19 96Z 0.9258
20 57O 0.9246
21 RVE 0.9242
22 ITW 0.9236
23 4OG 0.9236
24 30G 0.9233
25 2UD 0.9230
26 9BF 0.9224
27 T6Z 0.9224
28 61M 0.9210
29 TRP 0.9203
30 TQU 0.9198
31 ALN 0.9181
32 5WN 0.9178
33 IBM 0.9177
34 M5H 0.9175
35 CSN 0.9172
36 9F8 0.9167
37 GTV 0.9156
38 YO5 0.9156
39 MHK 0.9142
40 2LY 0.9140
41 IBC 0.9132
42 TSS 0.9126
43 1QP 0.9124
44 3SU 0.9123
45 SRO 0.9120
46 PLP 0.9113
47 PXP 0.9113
48 AM1 0.9111
49 MNP 0.9105
50 DTR 0.9102
51 7SX 0.9093
52 0JD 0.9091
53 CPW 0.9089
54 EXR 0.9089
55 IPD 0.9087
56 QM1 0.9086
57 IOP 0.9084
58 HA5 0.9084
59 0LH 0.9082
60 SR4 0.9080
61 G6P 0.9078
62 BG6 0.9078
63 4R1 0.9072
64 8XL 0.9068
65 NPA 0.9067
66 YKG 0.9066
67 ZIQ 0.9065
68 EXL 0.9064
69 O2Y 0.9063
70 5WU 0.9062
71 LIP 0.9061
72 GPM 0.9056
73 GC2 0.9052
74 9KH 0.9048
75 I4D 0.9047
76 TWB 0.9036
77 GRX 0.9034
78 7ZC 0.9034
79 CGW 0.9034
80 PMP 0.9033
81 OMD 0.9032
82 9UL 0.9032
83 SBK 0.9030
84 JTH 0.9027
85 7FF 0.9024
86 P9T 0.9024
87 G1P 0.9022
88 AIN 0.9018
89 EYA 0.9017
90 OTD 0.9009
91 XEN 0.9005
92 2SX 0.9002
93 L8J 0.8998
94 ARP 0.8998
95 PRZ 0.8994
96 4A1 0.8994
97 MP5 0.8989
98 GP1 0.8988
99 APS 0.8982
100 PVQ 0.8981
101 CFA 0.8980
102 OUB 0.8978
103 PVK 0.8978
104 BB4 0.8978
105 4ME 0.8972
106 GL1 0.8971
107 3RI 0.8970
108 M0Q 0.8967
109 OIA 0.8966
110 YTX 0.8960
111 P0P 0.8953
112 EYM 0.8952
113 NAG 0.8950
114 EV3 0.8949
115 NCV 0.8948
116 NGT 0.8947
117 DHY 0.8944
118 3IL 0.8942
119 FWB 0.8939
120 NGO 0.8936
121 CG8 0.8935
122 CCV 0.8935
123 GLG 0.8917
124 7MX 0.8917
125 F95 0.8912
126 STT 0.8908
127 JYK 0.8907
128 GFP 0.8904
129 091 0.8904
130 LTN 0.8902
131 0GZ 0.8893
132 NBG 0.8891
133 TVP 0.8889
134 49N 0.8887
135 OA3 0.8886
136 JKZ 0.8884
137 M1H 0.8883
138 NPL 0.8881
139 A6P 0.8881
140 JYT 0.8878
141 D6G 0.8876
142 P7Y 0.8870
143 GLP 0.8868
144 3IB 0.8868
145 DBJ 0.8866
146 772 0.8866
147 VYM 0.8864
148 CE2 0.8863
149 HQ9 0.8863
150 49O 0.8863
151 BY5 0.8861
152 GNR 0.8859
153 9UG 0.8859
154 I2E 0.8852
155 U1K 0.8852
156 5WY 0.8850
157 M6P 0.8849
158 Q6T 0.8845
159 TRF 0.8843
160 3N4 0.8843
161 HWH 0.8838
162 8U3 0.8837
163 X04 0.8833
164 TNX 0.8831
165 DTE 0.8829
166 EY7 0.8828
167 2HC 0.8827
168 HLZ 0.8825
169 F69 0.8825
170 FUJ 0.8822
171 ASE 0.8821
172 2CZ 0.8819
173 2ZQ 0.8819
174 F5C 0.8817
175 0DN 0.8816
176 OSB 0.8815
177 OW7 0.8811
178 GCU 0.8810
179 BDP 0.8809
180 BZM 0.8807
181 C9E 0.8802
182 W81 0.8802
183 6HP 0.8800
184 MIG 0.8798
185 87L 0.8796
186 XJE 0.8795
187 RD4 0.8793
188 9FQ 0.8790
189 JV4 0.8789
190 M6D 0.8787
191 BGC 0.8787
192 B86 0.8787
193 CIP 0.8786
194 THM 0.8784
195 MYI 0.8783
196 HPT 0.8782
197 AC2 0.8780
198 2C2 0.8779
199 EVA 0.8778
200 KFN 0.8777
201 NWD 0.8776
202 GCB 0.8776
203 4Z9 0.8774
204 NIY 0.8773
205 15L 0.8773
206 NBV 0.8770
207 EOL 0.8770
208 KYN 0.8770
209 3LJ 0.8768
210 1AL 0.8767
211 AKH 0.8767
212 S3P 0.8766
213 K2P 0.8765
214 9X5 0.8765
215 94E 0.8763
216 8VN 0.8763
217 CTE 0.8761
218 Q5M 0.8759
219 1Z8 0.8759
220 JXZ 0.8758
221 FWD 0.8757
222 L21 0.8756
223 2D3 0.8754
224 M1P 0.8753
225 FNA 0.8752
226 28S 0.8746
227 W22 0.8745
228 JXK 0.8745
229 GLY PRO 0.8739
230 NDG 0.8739
231 BNX 0.8737
232 P84 0.8735
233 FLC 0.8734
234 HHT 0.8734
235 2UZ 0.8730
236 K3Q 0.8724
237 DG2 0.8723
238 9PY 0.8723
239 JYW 0.8721
240 512 0.8712
241 GDL 0.8710
242 XQK 0.8708
243 FUZ 0.8708
244 JXW 0.8696
245 S3C 0.8695
246 ABF 0.8692
247 K68 0.8691
248 H7Y 0.8688
249 CWD 0.8688
250 5BT 0.8688
251 4AV 0.8684
252 FA6 0.8682
253 60Q 0.8681
254 GAL 0.8680
255 JXT 0.8680
256 CLU 0.8679
257 F34 0.8678
258 RM1 0.8678
259 S7B 0.8677
260 EYY 0.8675
261 X1P 0.8671
262 V6F 0.8671
263 DDU 0.8668
264 MCY 0.8666
265 JY2 0.8663
266 OKM 0.8663
267 GT0 0.8658
268 R9S 0.8657
269 E7R 0.8651
270 7M6 0.8651
271 AVR 0.8651
272 KWQ 0.8650
273 23J 0.8647
274 1VQ 0.8647
275 GNL 0.8644
276 CIT 0.8643
277 GLC 0.8637
278 SBI 0.8635
279 XQI 0.8635
280 IFG 0.8622
281 OHP 0.8622
282 FTV 0.8621
283 KIF 0.8617
284 X0T 0.8610
285 QUS 0.8607
286 0GY 0.8606
287 1FF 0.8606
288 LYL 0.8603
289 DUR 0.8601
290 4A5 0.8601
291 GSY 0.8600
292 6R8 0.8599
293 IWD 0.8590
294 KBG 0.8589
295 293 0.8589
296 SYJ 0.8586
297 DOR 0.8582
298 AS3 0.8581
299 AMQ 0.8575
300 BWD 0.8570
301 BCU 0.8569
302 PW1 0.8568
303 NLQ 0.8544
304 EVO 0.8541
305 QPR 0.8538
306 9LI 0.8535
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O44; Ligand: 852; 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: 1o44.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
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