Receptor
PDB id Resolution Class Description Source Keywords
1O4J 1.7 Å EC: 2.7.1.112 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH ISO24. 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
IS2 A:300;
 Valid;
 none;
 ic50 = 4.4 mM
229.17 C9 H12 N O4 P CCc1c...
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: IS2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 IS2 1 1
2 UA5 0.409091 0.62
Similar Ligands (3D)
Ligand no: 1; Ligand: IS2; Similar ligands found: 305
No: Ligand Similarity coefficient
1 LO1 0.9522
2 NY4 0.9424
3 ZEC 0.9305
4 TYR 0.9291
5 EZL 0.9283
6 QIV 0.9237
7 HNT 0.9196
8 1EB 0.9191
9 LWA 0.9190
10 PTB 0.9175
11 JA5 0.9173
12 Y3L 0.9168
13 AJG 0.9165
14 9NB 0.9161
15 JAH 0.9158
16 ENO 0.9140
17 NDD 0.9138
18 HC4 0.9133
19 BIH 0.9130
20 GT4 0.9118
21 PNP 0.9107
22 G1L 0.9100
23 5TT 0.9100
24 2PV 0.9100
25 D9Z 0.9096
26 RYV 0.9092
27 NPS 0.9087
28 5O6 0.9086
29 5H6 0.9085
30 4FE 0.9082
31 PLP 0.9079
32 2PK 0.9073
33 AJ1 0.9072
34 0UL 0.9070
35 7FU 0.9052
36 6SD 0.9050
37 SWX 0.9047
38 Q04 0.9046
39 20N 0.9041
40 8V8 0.9035
41 T1N 0.9024
42 S7S 0.9023
43 1KN 0.9022
44 Y4L 0.9020
45 STV 0.9017
46 4NP 0.9010
47 VFJ 0.9009
48 5RP 0.9002
49 E3X 0.8991
50 LR8 0.8987
51 DAH 0.8987
52 B1J 0.8980
53 GB5 0.8979
54 JBZ 0.8978
55 P81 0.8978
56 2QC 0.8971
57 92G 0.8969
58 PFF 0.8969
59 VFG 0.8968
60 FZM 0.8964
61 SNV 0.8963
62 4HB 0.8961
63 657 0.8960
64 80G 0.8956
65 RES 0.8950
66 3ZB 0.8949
67 SX2 0.8944
68 28A 0.8943
69 M83 0.8942
70 RKN 0.8938
71 72D 0.8937
72 HXY 0.8936
73 EUE 0.8933
74 TID 0.8932
75 GVY 0.8929
76 GJG 0.8926
77 J1K 0.8923
78 8EU 0.8922
79 5VU 0.8918
80 UNJ 0.8909
81 EQW 0.8909
82 7N8 0.8905
83 S0D 0.8901
84 54E 0.8901
85 1PS 0.8900
86 RYY 0.8899
87 5SJ 0.8899
88 6ZX 0.8895
89 OLU 0.8891
90 DHC 0.8889
91 R5P 0.8887
92 NPX 0.8886
93 4I8 0.8885
94 4BY 0.8881
95 I3E 0.8881
96 GB4 0.8875
97 XCG 0.8875
98 PRL 0.8874
99 K7H 0.8873
100 WV7 0.8872
101 4CF 0.8870
102 I2E 0.8870
103 JCZ 0.8868
104 833 0.8866
105 K82 0.8866
106 NFZ 0.8866
107 5OO 0.8862
108 R52 0.8861
109 3W3 0.8860
110 DG6 0.8858
111 S0W 0.8856
112 3VQ 0.8855
113 3W6 0.8853
114 4UM 0.8853
115 PH3 0.8852
116 HBI 0.8852
117 N4E 0.8850
118 G14 0.8846
119 5LA 0.8845
120 1FE 0.8843
121 VGS 0.8842
122 ERZ 0.8842
123 PPY 0.8840
124 FT6 0.8838
125 RSV 0.8838
126 QME 0.8834
127 363 0.8834
128 3VS 0.8833
129 OQC 0.8833
130 2J1 0.8829
131 2FX 0.8822
132 5TY 0.8821
133 SJK 0.8821
134 0OO 0.8819
135 A7H 0.8819
136 ODK 0.8817
137 4Z1 0.8817
138 HPP 0.8815
139 CXH 0.8813
140 6KT 0.8807
141 397 0.8806
142 KLE 0.8806
143 IPO 0.8806
144 BX4 0.8806
145 TMG 0.8805
146 C53 0.8805
147 14W 0.8804
148 0F3 0.8800
149 L15 0.8799
150 TRP 0.8798
151 4CN 0.8796
152 8NB 0.8795
153 JGB 0.8794
154 H4B 0.8794
155 P4T 0.8794
156 CPZ 0.8792
157 36Y 0.8792
158 DTY 0.8790
159 51Y 0.8789
160 TYC 0.8778
161 VFM 0.8777
162 S62 0.8776
163 BVS 0.8775
164 FCW 0.8773
165 E4P 0.8771
166 613 0.8771
167 C4E 0.8769
168 LOT 0.8767
169 PHI 0.8766
170 JMG 0.8761
171 J6W 0.8760
172 4BX 0.8758
173 MP5 0.8756
174 8CC 0.8754
175 4LW 0.8753
176 A98 0.8752
177 6P3 0.8750
178 PMP 0.8748
179 SKF 0.8747
180 AZM 0.8746
181 0FR 0.8745
182 7AP 0.8744
183 88L 0.8744
184 HRM 0.8743
185 0LA 0.8741
186 4AF 0.8740
187 P9E 0.8739
188 RCV 0.8735
189 HHS 0.8733
190 L03 0.8729
191 3R4 0.8728
192 KLV 0.8727
193 5S9 0.8726
194 K3D 0.8726
195 M28 0.8725
196 SYE 0.8721
197 TG6 0.8717
198 PUE 0.8716
199 BIO 0.8714
200 ZZA 0.8712
201 5SP 0.8711
202 0NX 0.8709
203 G6P 0.8708
204 Q9T 0.8706
205 DVK 0.8702
206 CK2 0.8701
207 LZ5 0.8701
208 BGU 0.8700
209 ZHA 0.8697
210 5WN 0.8696
211 6H2 0.8693
212 WLH 0.8692
213 SOJ 0.8692
214 9R5 0.8690
215 L2K 0.8690
216 EE8 0.8686
217 2K8 0.8686
218 92O 0.8684
219 H2B 0.8683
220 VC3 0.8682
221 3W8 0.8679
222 CX6 0.8675
223 8D6 0.8674
224 4JE 0.8672
225 27K 0.8671
226 5E5 0.8667
227 ZSP 0.8662
228 109 0.8660
229 M78 0.8660
230 0DF 0.8657
231 68A 0.8654
232 W23 0.8648
233 4AB 0.8646
234 A5H 0.8646
235 7MW 0.8645
236 KLS 0.8644
237 EAE 0.8644
238 ALE 0.8639
239 1XS 0.8638
240 2GQ 0.8635
241 BHS 0.8635
242 36M 0.8634
243 MPU 0.8632
244 4ZF 0.8632
245 6DQ 0.8632
246 MSR 0.8632
247 3F4 0.8632
248 4AU 0.8630
249 S8G 0.8627
250 RA7 0.8627
251 MKN 0.8624
252 EVF 0.8623
253 FMH 0.8623
254 6C8 0.8623
255 9CE 0.8621
256 S0E 0.8620
257 6MW 0.8620
258 FYR 0.8616
259 ZRK 0.8614
260 2P3 0.8612
261 K4V 0.8611
262 A6P 0.8608
263 108 0.8606
264 S98 0.8605
265 F6R 0.8602
266 7EH 0.8602
267 20D 0.8601
268 R9J 0.8597
269 0OK 0.8596
270 17M 0.8594
271 AES 0.8593
272 DEZ 0.8591
273 6FB 0.8590
274 BVA 0.8590
275 BG6 0.8588
276 NIF 0.8585
277 7O4 0.8585
278 549 0.8582
279 52F 0.8581
280 TYL 0.8580
281 6J5 0.8578
282 GLP 0.8577
283 ZTW 0.8575
284 94X 0.8574
285 P4L 0.8570
286 YIP 0.8567
287 6PG 0.8566
288 801 0.8562
289 NAG 0.8561
290 120 0.8559
291 3XH 0.8559
292 NEU 0.8557
293 ZYX 0.8556
294 RVE 0.8554
295 2D2 0.8552
296 X48 0.8552
297 DT7 0.8550
298 N2M 0.8542
299 4FC 0.8541
300 5OR 0.8540
301 CFA 0.8540
302 1V1 0.8531
303 A5E 0.8530
304 CR4 0.8526
305 PTR 0.8508
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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