Receptor
PDB id Resolution Class Description Source Keywords
4UI3 2 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-26 HOMO SAPIENS TRANSFERASE DIPHTHERIA TOXIN LIKE FOLD ADP- RIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE-ACTIVITY RELATIONSHIPS OF 2-ARYLQUINAZOLI AS HIGHLY SELECTIVE AND POTENT INHIBITORS OF THE TANKYRASES. EUR.J.MED.CHEM. V. 118 316 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 C:2162;
D:2162;
B:2115;
A:2114;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZN A:2113;
B:2114;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
GOL C:2163;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
06R A:2115;
B:2116;
 Valid;
Valid;
 none;
none;
 ic50 = 133 nM
290.24 C15 H9 F3 N2 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NWD 1.45 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF TNKS2 IN COMPLEX WITH 2-[4-(DIETHYLAMIN 3,4-DIHYDROQUINAZOLIN-4-ONE HOMO SAPIENS TANKYRASE INHIBITOR ARTD6 PARP5B ADP-RIBOSYLTRANSFERASETRANSFERASE
Ref.: 2-PHENYLQUINAZOLINONES AS DUAL-ACTIVITY TANKYRASE-K INHIBITORS. SCI REP V. 8 1680 2018
Members (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
42 5ZQP ic50 = 18.3 nM 9H3 C20 H21 N3 O3 c1ccc2c(c1....
43 5ZQQ - 9H6 C21 H24 N4 O2 CN1c2ccccc....
44 5ZQO ic50 = 19.4 nM 9GX C19 H24 N4 O2 COc1ccccc1....
45 6A84 ic50 = 5.3 nM 9SU C20 H23 Cl N4 O c1cc2c(c(c....
46 5ZQR ic50 = 10.6 nM 9H9 C22 H26 F2 N4 O2 c1c(cc(c2c....
47 6KRO ic50 = 39.2 nM DU9 C27 H35 F N6 O3 C[C@@H]1CN....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
42 5ZQP ic50 = 18.3 nM 9H3 C20 H21 N3 O3 c1ccc2c(c1....
43 5ZQQ - 9H6 C21 H24 N4 O2 CN1c2ccccc....
44 5ZQO ic50 = 19.4 nM 9GX C19 H24 N4 O2 COc1ccccc1....
45 6A84 ic50 = 5.3 nM 9SU C20 H23 Cl N4 O c1cc2c(c(c....
46 5ZQR ic50 = 10.6 nM 9H9 C22 H26 F2 N4 O2 c1c(cc(c2c....
47 6KRO ic50 = 39.2 nM DU9 C27 H35 F N6 O3 C[C@@H]1CN....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 06R; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 06R 1 1
2 29F 0.773585 0.809524
3 25F 0.685185 0.875
4 3F4 0.672727 0.75
5 RGK 0.672727 0.804878
6 91F 0.672727 0.75
7 SZ5 0.672727 0.846154
8 F40 0.660377 0.868421
9 08C 0.649123 0.733333
10 27F 0.637931 0.846154
11 F36 0.627119 0.785714
12 9AW 0.606557 0.846154
13 9AQ 0.596774 0.6875
14 9C8 0.596774 0.66
15 9A8 0.596774 0.702128
16 W2E 0.587302 0.717391
17 9B2 0.578125 0.647059
18 F37 0.560606 0.636364
19 32F 0.552239 0.6
20 KC8 0.544118 0.603448
21 97H 0.532258 0.785714
22 9AN 0.52381 0.733333
23 JQF 0.521127 0.647059
24 16I 0.506849 0.6875
25 97K 0.5 0.702128
26 2ZI 0.492308 0.95
27 IY5 0.484848 0.826087
28 9CE 0.483333 0.733333
29 RJN 0.468354 0.641509
30 ECZ 0.463768 0.808511
31 MEW 0.413793 0.794872
32 AQO 0.413793 0.704545
Similar Ligands (3D)
Ligand no: 1; Ligand: 06R; Similar ligands found: 281
No: Ligand Similarity coefficient
1 GN5 1.0000
2 31F 1.0000
3 XAV 0.9948
4 O53 0.9845
5 1UR 0.9809
6 1V0 0.9799
7 A64 0.9776
8 1UT 0.9748
9 F08 0.9630
10 72H 0.9624
11 1UZ 0.9607
12 1VG 0.9576
13 A63 0.9510
14 WF4 0.9506
15 5WW 0.9495
16 JKN 0.9492
17 1UW 0.9412
18 F1T 0.9328
19 NKI 0.9309
20 F33 0.9308
21 5TU 0.9300
22 MRE 0.9294
23 1V1 0.9285
24 DFL 0.9279
25 7FC 0.9270
26 A73 0.9268
27 135 0.9261
28 1V8 0.9245
29 J45 0.9241
30 3G5 0.9229
31 A26 0.9224
32 JL7 0.9224
33 L43 0.9218
34 E9L 0.9218
35 20D 0.9215
36 GA6 0.9211
37 TVZ 0.9208
38 124 0.9207
39 J5Z 0.9196
40 97Z 0.9189
41 106 0.9188
42 BMZ 0.9184
43 H2W 0.9182
44 M3W 0.9175
45 CDJ 0.9173
46 M16 0.9169
47 VT3 0.9161
48 802 0.9160
49 BRZ 0.9159
50 CR4 0.9154
51 LZ3 0.9146
52 338 0.9146
53 907 0.9146
54 F38 0.9145
55 6QX 0.9138
56 TFX 0.9135
57 2JP 0.9131
58 W8L 0.9123
59 S1C 0.9119
60 801 0.9118
61 PW8 0.9110
62 6T5 0.9101
63 TVC 0.9101
64 Q92 0.9098
65 3TI 0.9094
66 120 0.9094
67 122 0.9093
68 6JP 0.9075
69 0NJ 0.9075
70 NAR 0.9074
71 SNP 0.9073
72 MBT 0.9063
73 3K1 0.9056
74 O9T 0.9054
75 G2V 0.9053
76 2UV 0.9051
77 AGI 0.9048
78 DFV 0.9044
79 7FZ 0.9042
80 334 0.9035
81 8M5 0.9033
82 121 0.9030
83 0S0 0.9026
84 T5J 0.9019
85 J2W 0.9018
86 J3B 0.9017
87 O9Z 0.9012
88 8E6 0.9008
89 CWE 0.9004
90 A9E 0.9000
91 55H 0.8999
92 AO 0.8999
93 3Q0 0.8995
94 E98 0.8990
95 LU2 0.8990
96 MR4 0.8988
97 F70 0.8982
98 HCC 0.8977
99 OSY 0.8976
100 797 0.8976
101 8E3 0.8974
102 BO1 0.8972
103 6BK 0.8972
104 E92 0.8972
105 5XM 0.8968
106 NU3 0.8966
107 1SX 0.8965
108 MR5 0.8960
109 B7H 0.8958
110 LI7 0.8956
111 RNP 0.8952
112 0FZ 0.8945
113 136 0.8940
114 X2L 0.8933
115 123 0.8923
116 J8D 0.8920
117 697 0.8916
118 57U 0.8911
119 SGW 0.8911
120 8EC 0.8910
121 ZTW 0.8907
122 0DJ 0.8903
123 U4J 0.8892
124 FBC 0.8890
125 WLH 0.8890
126 7LU 0.8889
127 QDR 0.8886
128 1R5 0.8882
129 DX8 0.8882
130 STL 0.8880
131 WG8 0.8877
132 IW3 0.8877
133 196 0.8872
134 EBB 0.8870
135 1Q1 0.8870
136 A8D 0.8870
137 72G 0.8870
138 L8N 0.8868
139 BJ4 0.8867
140 5Z5 0.8865
141 4KN 0.8859
142 E8Z 0.8858
143 A05 0.8858
144 KMP 0.8852
145 4ZW 0.8850
146 SDN 0.8841
147 LZ7 0.8840
148 2OX 0.8840
149 AV6 0.8839
150 P34 0.8838
151 MI2 0.8836
152 Q7U 0.8828
153 BX4 0.8828
154 GEN 0.8827
155 HUL 0.8826
156 AX1 0.8824
157 205 0.8821
158 IDZ 0.8813
159 BUX 0.8812
160 4P9 0.8810
161 041 0.8807
162 397 0.8807
163 END 0.8799
164 NPZ 0.8799
165 F5N 0.8797
166 QUE 0.8797
167 FSE 0.8796
168 MXM 0.8795
169 CT7 0.8795
170 5ZM 0.8791
171 1HP 0.8788
172 BUN 0.8785
173 HRD 0.8782
174 PIU 0.8776
175 MHB 0.8776
176 01I 0.8773
177 68C 0.8771
178 Z3R 0.8770
179 6H2 0.8770
180 NVS 0.8766
181 LJ1 0.8765
182 AV7 0.8765
183 23M 0.8763
184 SLX 0.8762
185 S16 0.8762
186 J2N 0.8759
187 OAQ 0.8758
188 X8I 0.8758
189 U1T 0.8753
190 UAY 0.8753
191 ESJ 0.8753
192 BBP 0.8750
193 6JM 0.8750
194 4ZF 0.8748
195 LJ2 0.8744
196 AU6 0.8742
197 ICD 0.8741
198 3RL 0.8740
199 LMZ 0.8736
200 IW5 0.8736
201 245 0.8727
202 5EZ 0.8724
203 DEH 0.8724
204 AZB 0.8717
205 3Q1 0.8715
206 S98 0.8715
207 PIT 0.8715
208 6FX 0.8711
209 1UA 0.8710
210 M00 0.8708
211 ZEA 0.8700
212 3WL 0.8700
213 KWV 0.8700
214 CWB 0.8699
215 CMG 0.8698
216 5YA 0.8698
217 RF2 0.8698
218 MRI 0.8698
219 LWA 0.8698
220 HH6 0.8692
221 83D 0.8690
222 U32 0.8687
223 2WU 0.8686
224 68Q 0.8681
225 H50 0.8680
226 F18 0.8676
227 PNJ 0.8675
228 LC1 0.8670
229 XZ1 0.8669
230 1Q2 0.8667
231 IPJ 0.8666
232 DN8 0.8663
233 7GK 0.8662
234 OSD 0.8662
235 2Q0 0.8656
236 3MI 0.8650
237 OSJ 0.8650
238 LJ5 0.8649
239 62D 0.8648
240 J2Q 0.8646
241 PNW 0.8643
242 80R 0.8643
243 272 0.8642
244 1V4 0.8640
245 CUE 0.8638
246 244 0.8637
247 JMM 0.8637
248 D9H 0.8636
249 MYC 0.8636
250 T21 0.8620
251 HPX 0.8618
252 1CE 0.8617
253 M5A 0.8614
254 7G2 0.8609
255 DMB 0.8607
256 A9B 0.8606
257 WW3 0.8604
258 3Q2 0.8602
259 U55 0.8599
260 QS4 0.8596
261 SJR 0.8595
262 5LP 0.8590
263 517 0.8585
264 9EG 0.8583
265 BER 0.8582
266 UN9 0.8579
267 R3P 0.8579
268 IW4 0.8575
269 3BE 0.8573
270 MR6 0.8572
271 FJR 0.8570
272 L2K 0.8562
273 79X 0.8558
274 RPB 0.8543
275 N4N 0.8543
276 DQH 0.8540
277 U13 0.8539
278 BRY 0.8532
279 Q0K 0.8525
280 LZ4 0.8520
281 JTE 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NWD; Ligand: 9C8; 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: 5nwd.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5NWD; Ligand: 9C8; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 5nwd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 6W65 T9D 36.7347
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