Receptor
PDB id Resolution Class Description Source Keywords
4L2F 2.05 Å EC: 2.4.2.30 TANKYRASE 2 IN COMPLEX WITH 6-CHLORO FLAVONE HOMO SAPIENS PROTEIN-LIGAND COMPLEX DIPHTHERIA TOXIN LIKE FOLD TRANSFERRIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF TANKYRASE INHIBITING FLAVONES WITH INC POTENCY AND ISOENZYME SELECTIVITY. J.MED.CHEM. V. 56 7880 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1202;
B:1201;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
1V3 A:1201;
 Valid;
 none;
 submit data
256.684 C15 H9 Cl O2 c1ccc...
SO4 A:1203;
A:1204;
B:1203;
B:1202;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
GOL C:1201;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
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: 1V3; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 1V3 1 1
2 1V4 0.592593 0.931035
3 1V1 0.473684 0.964286
Similar Ligands (3D)
Ligand no: 1; Ligand: 1V3; Similar ligands found: 670
No: Ligand Similarity coefficient
1 7L4 0.9915
2 5NN 0.9858
3 F40 0.9841
4 DFL 0.9721
5 20D 0.9710
6 2GQ 0.9706
7 P4L 0.9698
8 A73 0.9674
9 3GX 0.9660
10 E9L 0.9650
11 RGK 0.9630
12 6DQ 0.9621
13 25F 0.9621
14 3WL 0.9620
15 9CE 0.9619
16 H2W 0.9612
17 6QT 0.9609
18 NIF 0.9606
19 PIQ 0.9605
20 CDJ 0.9601
21 W8L 0.9597
22 3F4 0.9559
23 DXK 0.9558
24 SZ5 0.9550
25 0UL 0.9550
26 Q0K 0.9540
27 M3W 0.9538
28 57D 0.9528
29 NKI 0.9526
30 WLH 0.9524
31 YE7 0.9523
32 A6W 0.9519
33 DDC 0.9513
34 II4 0.9503
35 AP6 0.9499
36 CUE 0.9478
37 VT3 0.9474
38 C4E 0.9467
39 LIG 0.9464
40 2QU 0.9460
41 DX2 0.9452
42 1DR 0.9449
43 40N 0.9449
44 0DF 0.9428
45 3SU 0.9423
46 NYJ 0.9422
47 IDZ 0.9408
48 6JM 0.9406
49 1HP 0.9390
50 1Q4 0.9388
51 RSV 0.9374
52 5E5 0.9366
53 3JC 0.9359
54 5E2 0.9353
55 AGI 0.9343
56 O9Z 0.9339
57 7EH 0.9335
58 O9T 0.9329
59 NRA 0.9326
60 5V7 0.9321
61 O9Q 0.9318
62 7M5 0.9316
63 6XC 0.9316
64 LWS 0.9314
65 OPA 0.9310
66 D64 0.9304
67 6JO 0.9303
68 A63 0.9302
69 UAY 0.9301
70 27F 0.9296
71 6BK 0.9296
72 9JT 0.9295
73 1EL 0.9292
74 272 0.9291
75 6TJ 0.9284
76 338 0.9282
77 1UZ 0.9280
78 GEN 0.9277
79 ZAR 0.9275
80 5B2 0.9270
81 1FE 0.9263
82 CU8 0.9259
83 KP2 0.9258
84 SGW 0.9251
85 Q4G 0.9245
86 AVA 0.9243
87 LI7 0.9239
88 3WK 0.9234
89 3WO 0.9230
90 3WN 0.9230
91 EQU 0.9228
92 0OK 0.9228
93 91F 0.9226
94 SQM 0.9223
95 4AU 0.9223
96 OTA 0.9222
97 HH6 0.9220
98 47X 0.9220
99 1V8 0.9218
100 08C 0.9214
101 DFV 0.9213
102 4NR 0.9211
103 78Y 0.9207
104 3D8 0.9205
105 HRD 0.9202
106 IOP 0.9201
107 5WW 0.9198
108 SNJ 0.9197
109 IQW 0.9196
110 AVX 0.9194
111 EV2 0.9189
112 A9B 0.9185
113 COL 0.9181
114 5E1 0.9179
115 FCW 0.9179
116 LR2 0.9178
117 BJ4 0.9172
118 5WT 0.9171
119 RVE 0.9166
120 H75 0.9160
121 2D2 0.9160
122 YZ9 0.9158
123 LU2 0.9150
124 NAR 0.9150
125 IQZ 0.9146
126 A05 0.9144
127 LL1 0.9143
128 5ZM 0.9142
129 CHQ 0.9140
130 CX6 0.9139
131 AUE 0.9139
132 KMP 0.9138
133 7LU 0.9137
134 EST 0.9136
135 7M2 0.9135
136 3AK 0.9135
137 18E 0.9134
138 AMR 0.9134
139 AXX 0.9133
140 2QV 0.9132
141 JCZ 0.9131
142 FSE 0.9130
143 X2M 0.9130
144 Q8G 0.9129
145 VM1 0.9128
146 1R5 0.9125
147 EI1 0.9121
148 9XZ 0.9118
149 FT6 0.9118
150 EES 0.9109
151 7ZO 0.9108
152 5TZ 0.9104
153 ZSP 0.9098
154 2P3 0.9098
155 5P3 0.9096
156 3DE 0.9090
157 5VU 0.9089
158 AUG 0.9087
159 AJ1 0.9086
160 1V0 0.9085
161 2JX 0.9084
162 TRP 0.9083
163 QUE 0.9082
164 801 0.9081
165 363 0.9081
166 121 0.9081
167 ZRL 0.9080
168 S8P 0.9078
169 JF8 0.9077
170 BGU 0.9073
171 BBY 0.9069
172 CX4 0.9068
173 52F 0.9067
174 833 0.9064
175 KWB 0.9064
176 LUM 0.9064
177 FYR 0.9063
178 MKN 0.9063
179 0SY 0.9062
180 TCR 0.9059
181 MJW 0.9058
182 L3L 0.9058
183 S60 0.9057
184 5DN 0.9057
185 GB4 0.9057
186 5F8 0.9056
187 CR4 0.9054
188 5F5 0.9053
189 Q5M 0.9052
190 5OR 0.9050
191 4CN 0.9050
192 8M5 0.9049
193 ZRK 0.9048
194 J3Z 0.9046
195 GNV 0.9046
196 JTA 0.9046
197 120 0.9044
198 H4B 0.9044
199 A64 0.9043
200 Q8D 0.9042
201 5ER 0.9042
202 QR2 0.9041
203 5S9 0.9040
204 BMZ 0.9040
205 IQQ 0.9039
206 8HH 0.9033
207 AQN 0.9032
208 CBE 0.9032
209 G2V 0.9028
210 5C1 0.9026
211 RKV 0.9026
212 JTF 0.9024
213 196 0.9023
214 UN3 0.9023
215 E6Q 0.9023
216 S98 0.9021
217 JRO 0.9020
218 LC1 0.9019
219 DX7 0.9018
220 4Z9 0.9015
221 NVS 0.9015
222 BIO 0.9014
223 B61 0.9013
224 C0W 0.9013
225 AJG 0.9011
226 2WU 0.9010
227 49P 0.9009
228 M4N 0.9009
229 PMM 0.9008
230 HUL 0.9007
231 97K 0.9005
232 4ZF 0.9005
233 JSX 0.9004
234 5FL 0.9004
235 KF5 0.9002
236 1AJ 0.9001
237 NPS 0.8998
238 L5D 0.8998
239 8SK 0.8998
240 0LO 0.8997
241 122 0.8995
242 NEO 0.8995
243 124 0.8993
244 PRL 0.8992
245 U14 0.8992
246 OLU 0.8991
247 7FU 0.8983
248 M78 0.8983
249 IK1 0.8981
250 4FF 0.8978
251 5TO 0.8975
252 9BF 0.8975
253 DTR 0.8975
254 4L2 0.8974
255 0NJ 0.8973
256 IDD 0.8973
257 39R 0.8973
258 FCD 0.8973
259 IMK 0.8973
260 YE6 0.8971
261 NU3 0.8968
262 HA6 0.8967
263 A5H 0.8967
264 4GU 0.8966
265 NAL 0.8966
266 AJD 0.8965
267 6FG 0.8965
268 6C5 0.8962
269 EY2 0.8962
270 ZTW 0.8961
271 LEL 0.8960
272 7EL 0.8959
273 BRY 0.8955
274 F36 0.8954
275 5SJ 0.8954
276 M3F 0.8953
277 F18 0.8953
278 5TT 0.8953
279 L2K 0.8951
280 7G2 0.8949
281 1UR 0.8949
282 RF2 0.8947
283 D25 0.8946
284 B4L 0.8946
285 J38 0.8945
286 JFS 0.8945
287 CZ0 0.8942
288 6VW 0.8940
289 MR4 0.8939
290 ECS 0.8939
291 47V 0.8937
292 9TF 0.8936
293 1UT 0.8934
294 6MW 0.8933
295 Y3L 0.8932
296 2GE 0.8931
297 6C8 0.8929
298 WG8 0.8928
299 K7H 0.8926
300 QIV 0.8926
301 S1D 0.8925
302 IKY 0.8925
303 397 0.8921
304 3WJ 0.8919
305 697 0.8919
306 PZX 0.8918
307 ZEA 0.8917
308 22L 0.8916
309 D26 0.8916
310 ESZ 0.8916
311 1YL 0.8914
312 6B5 0.8914
313 CWE 0.8914
314 SDN 0.8912
315 B21 0.8912
316 O53 0.8911
317 39Z 0.8910
318 JMG 0.8910
319 4G2 0.8909
320 1FL 0.8909
321 N1E 0.8908
322 P4T 0.8906
323 ITE 0.8906
324 XYP XYP 0.8906
325 I0G 0.8905
326 62D 0.8905
327 ESL 0.8905
328 0K7 0.8905
329 SJR 0.8904
330 MBP 0.8903
331 96Z 0.8902
332 ESR 0.8901
333 4UM 0.8899
334 GNJ 0.8899
335 LFN 0.8898
336 51Y 0.8897
337 R4E 0.8896
338 Z21 0.8896
339 GJB 0.8894
340 VBC 0.8893
341 IQ5 0.8893
342 17M 0.8892
343 FNT 0.8892
344 P9I 0.8890
345 MHB 0.8890
346 4HG 0.8889
347 8G6 0.8887
348 5XL 0.8886
349 XEV 0.8886
350 B7H 0.8884
351 WCU 0.8882
352 BHS 0.8882
353 DTQ 0.8882
354 DRG 0.8880
355 28A 0.8880
356 2AN 0.8879
357 P93 0.8879
358 5DE 0.8877
359 HBI 0.8876
360 041 0.8874
361 YEX 0.8874
362 R18 0.8874
363 VUP 0.8873
364 5AD 0.8872
365 4YE 0.8870
366 7FZ 0.8870
367 15Q 0.8870
368 1XS 0.8869
369 EWG 0.8868
370 AUV 0.8868
371 H35 0.8867
372 108 0.8867
373 L1T 0.8866
374 WDW 0.8865
375 IXM 0.8864
376 MR5 0.8863
377 6ZE 0.8862
378 NIY 0.8859
379 ZHA 0.8859
380 3C3 0.8858
381 MYU 0.8858
382 6C4 0.8858
383 DNQ 0.8857
384 GJG 0.8856
385 3IL 0.8854
386 0MB 0.8854
387 6P3 0.8854
388 QS4 0.8854
389 BIK 0.8852
390 BBP 0.8852
391 5P7 0.8850
392 6C9 0.8849
393 CC6 0.8849
394 53X 0.8849
395 U13 0.8849
396 AX1 0.8849
397 DH2 0.8848
398 5KN 0.8846
399 NPX 0.8846
400 QME 0.8843
401 5WN 0.8843
402 LTN 0.8843
403 2J1 0.8843
404 HWB 0.8842
405 UN9 0.8842
406 CMG 0.8841
407 F5C 0.8840
408 22T 0.8839
409 5I5 0.8838
410 6FB 0.8837
411 3VQ 0.8836
412 0SX 0.8834
413 XZ1 0.8834
414 19E 0.8831
415 U7E 0.8831
416 H2B 0.8831
417 4AB 0.8831
418 3Y7 0.8830
419 3D1 0.8828
420 4Z1 0.8827
421 20N 0.8827
422 609 0.8827
423 AKD 0.8826
424 XCG 0.8826
425 XYS XYS 0.8826
426 5M2 0.8825
427 SAK 0.8825
428 CG 0.8822
429 SU9 0.8821
430 27M 0.8820
431 9YD 0.8819
432 SNB 0.8819
433 KU1 0.8819
434 5TY 0.8819
435 TMG 0.8818
436 BUX 0.8818
437 S0D 0.8817
438 789 0.8815
439 1OT 0.8814
440 0FR 0.8814
441 XDL XYP 0.8814
442 XYS XYP 0.8813
443 G14 0.8813
444 344 0.8810
445 AOM 0.8809
446 EAT 0.8808
447 761 0.8807
448 KLE 0.8806
449 WV7 0.8803
450 RFZ 0.8802
451 1QV 0.8801
452 90G 0.8800
453 NFZ 0.8799
454 AUY 0.8798
455 U19 0.8797
456 G6P 0.8797
457 H0V 0.8796
458 HMO 0.8794
459 MYC 0.8793
460 205 0.8789
461 3G1 0.8786
462 AOX 0.8785
463 92O 0.8785
464 QUG 0.8784
465 NDD 0.8783
466 U4J 0.8780
467 BHF 0.8778
468 2UD 0.8777
469 HHB 0.8776
470 RCV 0.8775
471 2PV 0.8775
472 DHT 0.8773
473 5OO 0.8773
474 CFK 0.8773
475 T21 0.8772
476 D1Y 0.8772
477 5WM 0.8769
478 245 0.8768
479 JP2 0.8765
480 MXD 0.8763
481 PQM 0.8763
482 5SD 0.8759
483 4QX 0.8759
484 KLV 0.8757
485 ZEZ 0.8756
486 RHN 0.8756
487 OUA 0.8755
488 JNW 0.8753
489 AZN 0.8752
490 U12 0.8752
491 LJ3 0.8752
492 ZZA 0.8750
493 4I8 0.8750
494 ASE 0.8749
495 6JP 0.8749
496 MUR 0.8749
497 FX5 0.8748
498 DBE 0.8747
499 J1K 0.8744
500 HNT 0.8743
501 UN4 0.8743
502 9OF 0.8743
503 2PK 0.8742
504 1ER 0.8741
505 68A 0.8739
506 EVO 0.8739
507 26C 0.8739
508 DE7 0.8738
509 FQX 0.8737
510 DQH 0.8735
511 S62 0.8734
512 0X2 0.8734
513 LZ5 0.8734
514 OUG 0.8733
515 MD6 0.8730
516 4QY 0.8729
517 4BX 0.8728
518 WST 0.8728
519 DX8 0.8725
520 0ON 0.8724
521 38E 0.8723
522 68B 0.8723
523 EAE 0.8723
524 LRW 0.8722
525 GO2 0.8721
526 4K2 0.8720
527 JF5 0.8719
528 57U 0.8719
529 BA5 0.8719
530 EZL 0.8719
531 7FC 0.8718
532 IPJ 0.8717
533 4FE 0.8716
534 8CC 0.8715
535 6H2 0.8715
536 8D6 0.8714
537 HRM 0.8710
538 XIF XYP 0.8710
539 XYP XDN 0.8710
540 M5H 0.8710
541 MRI 0.8709
542 ZIP 0.8708
543 XYP XIF 0.8706
544 DHC 0.8706
545 9UL 0.8704
546 FER 0.8704
547 7G0 0.8704
548 802 0.8703
549 V2Z 0.8703
550 GF7 0.8702
551 5WK 0.8700
552 X48 0.8699
553 FHV 0.8699
554 68C 0.8697
555 CC5 0.8696
556 3UG 0.8693
557 ESM 0.8691
558 PE2 0.8689
559 1BW 0.8688
560 K8W 0.8686
561 PLP 0.8686
562 X0T 0.8686
563 BG6 0.8685
564 657 0.8682
565 ESJ 0.8682
566 TVC 0.8681
567 0H5 0.8680
568 2FX 0.8680
569 T5J 0.8679
570 E1K 0.8678
571 QC1 0.8676
572 OAI 0.8675
573 ALH 0.8674
574 RDV 0.8674
575 HHS 0.8673
576 6WL 0.8672
577 AO 0.8671
578 GNG 0.8670
579 X8E 0.8670
580 B23 0.8669
581 2Q0 0.8665
582 D9Z 0.8664
583 MFR 0.8661
584 CNI 0.8659
585 L07 0.8657
586 16G 0.8656
587 BP7 0.8655
588 X8I 0.8654
589 IRG 0.8653
590 79X 0.8653
591 4F8 0.8650
592 GWD 0.8650
593 29F 0.8648
594 AZY 0.8648
595 2LW 0.8648
596 1SF 0.8646
597 XI7 0.8644
598 M9N 0.8643
599 BSU 0.8638
600 244 0.8636
601 PJK 0.8636
602 4DE 0.8635
603 FF2 0.8634
604 WS7 0.8633
605 0DJ 0.8632
606 K2C 0.8631
607 8Y7 0.8630
608 V1T 0.8630
609 ANC 0.8630
610 AD6 0.8630
611 96U 0.8629
612 6WU 0.8627
613 E3U 0.8627
614 3VS 0.8627
615 36K 0.8626
616 N0Z 0.8625
617 34L 0.8625
618 3WF 0.8624
619 517 0.8622
620 2K8 0.8620
621 1EB 0.8618
622 A8D 0.8615
623 6ZW 0.8612
624 TEF 0.8610
625 Q7U 0.8609
626 AOY 0.8607
627 E92 0.8606
628 FZB 0.8606
629 2GD 0.8606
630 JVD 0.8604
631 1A5 0.8598
632 NWD 0.8598
633 6HP 0.8597
634 TQ1 0.8596
635 X2L 0.8595
636 SXX 0.8594
637 ELH 0.8594
638 MR6 0.8591
639 4R1 0.8591
640 STV 0.8591
641 69W 0.8590
642 TVZ 0.8587
643 NG6 0.8586
644 58N 0.8585
645 WS6 0.8585
646 PMP 0.8582
647 ZJB 0.8580
648 7MW 0.8579
649 UQ1 0.8577
650 THA 0.8577
651 VGS 0.8575
652 KWV 0.8574
653 8V8 0.8570
654 JWS 0.8570
655 GLP 0.8567
656 M83 0.8565
657 NE2 0.8565
658 4HB 0.8556
659 BG8 0.8554
660 GN5 0.8547
661 X04 0.8546
662 XIL 0.8545
663 KYA 0.8544
664 JA5 0.8544
665 BU7 0.8542
666 6KT 0.8542
667 TID 0.8542
668 9KZ 0.8540
669 NPL 0.8540
670 BIT 0.8518
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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