Receptor
PDB id Resolution Class Description Source Keywords
4UI7 1.8 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-49 HOMO SAPIENS TRANSFERASE PROTEIN-LIGAND COMPLEX DIPHTHERIA TOXIN LIKE FADP- RIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLE
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
VT3 A:2116;
B:2117;
 Valid;
Valid;
 none;
none;
 ic50 = 44 nM
252.268 C15 H12 N2 O2 Cc1cc...
SO4 A:2115;
B:2116;
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:2162;
 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: VT3; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 VT3 1 1
2 IY5 0.694915 0.87234
3 M3W 0.627119 0.813953
4 BJ4 0.612903 0.888889
5 SZ5 0.46875 0.809524
6 2ZI 0.455882 0.744681
7 ECZ 0.430556 0.816327
Similar Ligands (3D)
Ligand no: 1; Ligand: VT3; Similar ligands found: 632
No: Ligand Similarity coefficient
1 CDJ 1.0000
2 W8L 1.0000
3 H2W 0.9998
4 E9L 0.9979
5 RGK 0.9870
6 3F4 0.9845
7 DFL 0.9837
8 20D 0.9822
9 NKI 0.9821
10 1V1 0.9819
11 5NN 0.9806
12 5WW 0.9800
13 25F 0.9800
14 A73 0.9790
15 3GX 0.9738
16 27F 0.9721
17 1UZ 0.9713
18 SGW 0.9708
19 WLH 0.9696
20 08C 0.9678
21 F40 0.9677
22 A63 0.9649
23 91F 0.9610
24 AGI 0.9602
25 O9T 0.9586
26 1V4 0.9578
27 DXK 0.9577
28 D64 0.9573
29 6DQ 0.9561
30 1HP 0.9551
31 P4L 0.9548
32 97K 0.9523
33 NAR 0.9522
34 9CE 0.9521
35 O9Z 0.9519
36 3WL 0.9490
37 DFV 0.9478
38 1V3 0.9474
39 3WK 0.9459
40 LU2 0.9453
41 6BK 0.9453
42 7L4 0.9453
43 O53 0.9447
44 F36 0.9425
45 UAY 0.9423
46 1Q4 0.9423
47 PIQ 0.9418
48 NYJ 0.9415
49 2QU 0.9414
50 1UT 0.9408
51 LI7 0.9407
52 1UR 0.9404
53 CWE 0.9403
54 NU3 0.9403
55 Q0K 0.9403
56 57D 0.9399
57 GEN 0.9396
58 KMP 0.9394
59 3WJ 0.9383
60 0DF 0.9380
61 272 0.9378
62 IDD 0.9378
63 7LU 0.9372
64 2QV 0.9368
65 AP6 0.9365
66 1V0 0.9363
67 5P3 0.9358
68 6JM 0.9354
69 DDC 0.9348
70 6QT 0.9345
71 ZRL 0.9340
72 HH6 0.9340
73 1FL 0.9331
74 R4E 0.9314
75 QUE 0.9305
76 3CA 0.9299
77 A64 0.9294
78 5B2 0.9294
79 B7H 0.9288
80 1V8 0.9280
81 3JC 0.9277
82 LVY 0.9275
83 LWS 0.9273
84 F18 0.9271
85 C4E 0.9263
86 IDZ 0.9259
87 5ZM 0.9251
88 338 0.9233
89 1R5 0.9230
90 DX2 0.9222
91 5V7 0.9218
92 YE7 0.9216
93 CUE 0.9213
94 BUX 0.9211
95 FHI 0.9205
96 L3L 0.9199
97 3WO 0.9198
98 3WN 0.9198
99 WG8 0.9198
100 O9Q 0.9195
101 0OK 0.9193
102 MRI 0.9191
103 MHB 0.9185
104 4K2 0.9176
105 0UL 0.9173
106 3D8 0.9171
107 7FC 0.9170
108 4ZF 0.9168
109 J8D 0.9166
110 EMU 0.9163
111 196 0.9162
112 U13 0.9161
113 06R 0.9161
114 LR2 0.9159
115 6XC 0.9158
116 2JX 0.9157
117 8M5 0.9156
118 H32 0.9155
119 IW6 0.9154
120 0H5 0.9147
121 IQW 0.9140
122 6JO 0.9137
123 JFS 0.9134
124 3G5 0.9134
125 4L2 0.9130
126 29F 0.9129
127 2GQ 0.9128
128 4NR 0.9126
129 31F 0.9124
130 VBC 0.9123
131 3TI 0.9123
132 JSX 0.9120
133 S1D 0.9117
134 6TJ 0.9116
135 AVX 0.9112
136 TH1 0.9111
137 697 0.9111
138 A9B 0.9107
139 FSE 0.9107
140 ZEA 0.9107
141 L2K 0.9106
142 5E5 0.9104
143 0SY 0.9104
144 7M2 0.9103
145 NPZ 0.9101
146 H75 0.9098
147 8G6 0.9097
148 6B5 0.9097
149 B4L 0.9094
150 KWB 0.9094
151 H35 0.9094
152 DQH 0.9093
153 SNJ 0.9092
154 AUY 0.9091
155 MYC 0.9091
156 SAK 0.9088
157 NW1 0.9083
158 HUL 0.9079
159 7EH 0.9076
160 BRY 0.9074
161 DH2 0.9073
162 IMK 0.9072
163 4GU 0.9072
164 JKN 0.9070
165 AV6 0.9070
166 LIG 0.9069
167 NIF 0.9069
168 CC6 0.9066
169 6WL 0.9063
170 GN5 0.9058
171 W2E 0.9057
172 5DN 0.9056
173 FCW 0.9054
174 9OF 0.9050
175 2AN 0.9050
176 1EL 0.9050
177 2UV 0.9049
178 6JP 0.9048
179 5OR 0.9045
180 CMG 0.9044
181 XAV 0.9044
182 CX6 0.9042
183 G2V 0.9041
184 5WT 0.9039
185 TRP 0.9039
186 LL1 0.9038
187 JCZ 0.9035
188 AXX 0.9031
189 5FL 0.9030
190 EES 0.9028
191 3AK 0.9028
192 HWB 0.9027
193 TVZ 0.9026
194 CHQ 0.9020
195 OPA 0.9019
196 II4 0.9018
197 YE6 0.9017
198 MYU 0.9016
199 2P3 0.9014
200 XZ1 0.9014
201 YEX 0.9013
202 Q5M 0.9011
203 X8E 0.9009
204 5F8 0.9008
205 OA4 0.9007
206 ZRK 0.9005
207 8UY 0.8998
208 IKY 0.8998
209 CC5 0.8997
210 QC1 0.8994
211 5E1 0.8994
212 NIY 0.8994
213 22T 0.8993
214 ZTW 0.8990
215 H0V 0.8986
216 A9E 0.8986
217 NE2 0.8981
218 P9I 0.8980
219 MFR 0.8979
220 PNJ 0.8977
221 XYP XYP 0.8976
222 LMZ 0.8974
223 IQZ 0.8973
224 B2E 0.8972
225 041 0.8971
226 5E2 0.8968
227 WDW 0.8968
228 ARJ 0.8968
229 1SF 0.8968
230 C0W 0.8967
231 UN4 0.8966
232 WST 0.8965
233 RSV 0.8964
234 7G0 0.8961
235 96Z 0.8961
236 4F8 0.8960
237 9JT 0.8960
238 5VU 0.8960
239 5ER 0.8957
240 NOC 0.8956
241 B61 0.8956
242 5TU 0.8955
243 EV2 0.8954
244 FT6 0.8954
245 NAL 0.8954
246 GJB 0.8952
247 26C 0.8949
248 U4J 0.8948
249 58N 0.8948
250 EVO 0.8947
251 RVE 0.8947
252 CZ0 0.8944
253 3SU 0.8942
254 EI1 0.8942
255 MRE 0.8941
256 18E 0.8941
257 833 0.8941
258 PNW 0.8940
259 6H2 0.8939
260 MR4 0.8939
261 MBP 0.8938
262 2WU 0.8937
263 ZAR 0.8935
264 5DE 0.8935
265 38E 0.8934
266 X2M 0.8934
267 0NJ 0.8933
268 P83 0.8933
269 2D2 0.8932
270 JRO 0.8930
271 GAT 0.8930
272 UX0 0.8929
273 40N 0.8926
274 4FF 0.8925
275 4CN 0.8923
276 FYR 0.8921
277 UN9 0.8919
278 0LO 0.8919
279 S98 0.8917
280 34L 0.8917
281 6QX 0.8916
282 5I5 0.8916
283 3C3 0.8913
284 397 0.8913
285 E6Q 0.8913
286 RDL 0.8912
287 XDL XYP 0.8910
288 DE7 0.8909
289 F08 0.8909
290 KF5 0.8907
291 IPJ 0.8904
292 XIF XYP 0.8902
293 BHF 0.8901
294 BBY 0.8899
295 AIQ 0.8898
296 XYP XIF 0.8898
297 OTA 0.8896
298 DX8 0.8895
299 AOY 0.8894
300 FY8 0.8894
301 ASE 0.8894
302 AVA 0.8894
303 IRH 0.8893
304 OSY 0.8891
305 JF8 0.8891
306 XYP XDN 0.8891
307 47V 0.8890
308 QUG 0.8889
309 5YA 0.8888
310 BHM 0.8887
311 T5J 0.8886
312 XYS XYS 0.8886
313 124 0.8885
314 4AU 0.8884
315 CR4 0.8884
316 8HH 0.8883
317 CJN 0.8883
318 I0G 0.8882
319 801 0.8881
320 68C 0.8877
321 HA6 0.8877
322 EDZ 0.8877
323 HFT 0.8876
324 HRD 0.8876
325 7FZ 0.8875
326 7G2 0.8874
327 KXN 0.8873
328 6GP 0.8872
329 A6W 0.8870
330 BZC 0.8869
331 XEV 0.8867
332 CBE 0.8866
333 78Y 0.8863
334 XIL 0.8863
335 S0D 0.8862
336 F1T 0.8861
337 H4B 0.8861
338 A5H 0.8861
339 MR5 0.8860
340 RUG 0.8857
341 KN1 0.8857
342 PJK 0.8857
343 NVS 0.8857
344 IOP 0.8855
345 UN3 0.8854
346 205 0.8853
347 0K7 0.8849
348 VM1 0.8848
349 LTN 0.8847
350 5S9 0.8845
351 YJX 0.8843
352 COL 0.8843
353 135 0.8843
354 6T5 0.8842
355 244 0.8841
356 JTF 0.8840
357 1FE 0.8838
358 ELH 0.8836
359 SDN 0.8836
360 TYP 0.8835
361 120 0.8832
362 SQM 0.8828
363 245 0.8827
364 4Z9 0.8826
365 IIH 0.8825
366 49P 0.8823
367 Q92 0.8822
368 3JN 0.8819
369 PE2 0.8818
370 GVI 0.8818
371 PNG 0.8816
372 1AJ 0.8815
373 AX1 0.8813
374 Q4G 0.8813
375 M78 0.8811
376 U14 0.8811
377 9C8 0.8809
378 39Z 0.8809
379 HWH 0.8808
380 IQQ 0.8807
381 IXM 0.8806
382 NRA 0.8806
383 92O 0.8806
384 ZSP 0.8805
385 1DR 0.8805
386 TVC 0.8805
387 GAL PHB 0.8804
388 EST 0.8804
389 X8I 0.8803
390 PCQ 0.8802
391 53X 0.8802
392 BMZ 0.8800
393 BXZ 0.8800
394 AKD 0.8799
395 M3F 0.8798
396 ZJB 0.8798
397 5P7 0.8796
398 IK1 0.8796
399 GNG 0.8793
400 XDN XYP 0.8792
401 AQN 0.8791
402 8SK 0.8791
403 2UD 0.8789
404 H52 0.8789
405 122 0.8788
406 5XL 0.8787
407 BIO 0.8783
408 OAL 0.8782
409 GJK 0.8781
410 L5D 0.8780
411 5TZ 0.8779
412 PD6 0.8778
413 EAT 0.8778
414 0X2 0.8777
415 4YE 0.8776
416 AUV 0.8776
417 UL1 0.8775
418 4MP 0.8775
419 ZIP 0.8774
420 FER 0.8774
421 5XM 0.8774
422 TQ1 0.8773
423 TCR 0.8772
424 DLZ 0.8771
425 WA2 0.8771
426 121 0.8770
427 J8G 0.8770
428 JNW 0.8769
429 96U 0.8768
430 BGU 0.8768
431 28A 0.8766
432 P4T 0.8766
433 802 0.8766
434 PRL 0.8766
435 HBI 0.8763
436 72H 0.8762
437 FNT 0.8762
438 XYS XYP 0.8761
439 J3Z 0.8761
440 AMR 0.8761
441 6FX 0.8760
442 4RG 0.8759
443 5AD 0.8759
444 M16 0.8758
445 52F 0.8757
446 INI 0.8755
447 RKV 0.8755
448 QR2 0.8753
449 4FC 0.8752
450 7ZL 0.8751
451 X2L 0.8751
452 M08 0.8751
453 SSY 0.8750
454 KU1 0.8749
455 EQU 0.8746
456 LUM 0.8745
457 4HG 0.8745
458 S60 0.8742
459 JFZ 0.8738
460 78P 0.8738
461 K7H 0.8738
462 FZB 0.8738
463 AYS 0.8738
464 3UG 0.8737
465 ITE 0.8737
466 APQ 0.8734
467 363 0.8734
468 1XS 0.8733
469 5M2 0.8731
470 ML1 0.8730
471 21E 0.8728
472 OLU 0.8727
473 NBZ GLA 0.8727
474 5EZ 0.8724
475 19E 0.8724
476 4G2 0.8722
477 69W 0.8722
478 DTQ 0.8722
479 U19 0.8722
480 QNM 0.8722
481 3Q0 0.8720
482 DL6 0.8719
483 Q11 0.8718
484 AJD 0.8715
485 RNP 0.8715
486 FD7 0.8715
487 XYP XIM 0.8714
488 A05 0.8714
489 ISX 0.8713
490 DX7 0.8713
491 5F5 0.8708
492 0FR 0.8708
493 GWD 0.8706
494 G6P 0.8705
495 LJ3 0.8705
496 17M 0.8705
497 J45 0.8705
498 E2Q 0.8705
499 LFN 0.8704
500 0MB 0.8704
501 108 0.8704
502 27M 0.8704
503 X0T 0.8703
504 GB4 0.8702
505 6VW 0.8701
506 MQR 0.8700
507 57U 0.8699
508 5WM 0.8698
509 T02 0.8697
510 H2B 0.8696
511 OUA 0.8695
512 62D 0.8690
513 40W 0.8689
514 5TO 0.8688
515 SU9 0.8688
516 T21 0.8688
517 BGC BGC 0.8687
518 B21 0.8687
519 6ZE 0.8686
520 96R 0.8684
521 YZ9 0.8683
522 0XR 0.8683
523 CFK 0.8682
524 5CJ 0.8681
525 FC2 0.8680
526 BG6 0.8679
527 9BF 0.8679
528 ECS 0.8678
529 4AB 0.8677
530 DEH 0.8676
531 Z15 0.8674
532 BHS 0.8673
533 6WU 0.8672
534 36I 0.8671
535 5KN 0.8671
536 OUG 0.8670
537 4P9 0.8669
538 D25 0.8669
539 EBB 0.8668
540 2Q0 0.8668
541 BNY 0.8665
542 DTR 0.8663
543 TFX 0.8663
544 1UW 0.8662
545 DMB 0.8659
546 51Y 0.8655
547 Q7U 0.8654
548 SNP 0.8654
549 5PK 0.8653
550 LZ7 0.8652
551 1YL 0.8652
552 6FG 0.8652
553 LJ1 0.8649
554 U12 0.8649
555 Q8G 0.8648
556 CG 0.8648
557 147 0.8647
558 M9N 0.8647
559 BO1 0.8646
560 PZX 0.8645
561 XYP XYS 0.8644
562 79X 0.8640
563 0NH 0.8640
564 VUP 0.8637
565 BBP 0.8637
566 SXX 0.8637
567 MXM 0.8636
568 2PW 0.8636
569 3Y7 0.8635
570 Q8D 0.8634
571 MXD 0.8634
572 4GP 0.8633
573 NFZ 0.8631
574 BL7 0.8631
575 1ER 0.8630
576 HMO 0.8629
577 1QV 0.8627
578 NXB 0.8626
579 RF2 0.8626
580 4DE 0.8626
581 FSU 0.8626
582 NPL 0.8625
583 MHD GAL 0.8624
584 6C8 0.8623
585 TLF 0.8623
586 MR6 0.8621
587 1Q1 0.8620
588 ZHA 0.8619
589 64F 0.8618
590 6MW 0.8617
591 IRG 0.8614
592 NQ7 0.8608
593 MT6 0.8604
594 ZYQ 0.8603
595 JJ3 0.8602
596 6EN 0.8601
597 SLX 0.8601
598 WUB 0.8601
599 ERZ 0.8601
600 OAI 0.8600
601 NTF 0.8599
602 9XZ 0.8599
603 GNV 0.8598
604 QME 0.8598
605 TID 0.8596
606 ALH 0.8595
607 V2Z 0.8594
608 E3U 0.8594
609 28B 0.8593
610 TES 0.8589
611 LOT 0.8588
612 MEX 0.8586
613 3IL 0.8584
614 8E3 0.8582
615 Z57 0.8576
616 334 0.8574
617 KLV 0.8566
618 HPX 0.8565
619 PNX 0.8563
620 LC1 0.8563
621 DHT 0.8560
622 32F 0.8555
623 6C5 0.8550
624 TXQ 0.8550
625 F38 0.8545
626 8CC 0.8542
627 SNB 0.8540
628 BMA BGC 0.8536
629 MUR 0.8536
630 IFM BGC 0.8531
631 907 0.8519
632 MKN 0.8514
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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