Receptor
PDB id Resolution Class Description Source Keywords
4kzl 2 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 4'-FL 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
SO4 A:1203;
B:1203;
A:1204;
B:1204;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
20D B:1201;
A:1201;
 Valid;
Valid;
 none;
none;
 submit data
240.229 C15 H9 F O2 c1ccc...
ZN B:1202;
A:1202;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
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: 20D; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 20D 1 1
2 A64 0.7 0.766667
3 1V1 0.673469 0.928571
4 A73 0.673469 0.928571
5 A63 0.66 0.741935
6 1UZ 0.634615 0.766667
7 1UR 0.622642 0.71875
8 F08 0.578947 0.676471
9 1UW 0.540984 0.621622
10 1V8 0.533333 0.605263
11 1V4 0.5 0.964286
12 O9Z 0.412698 0.84375
Similar Ligands (3D)
Ligand no: 1; Ligand: 20D; Similar ligands found: 824
No: Ligand Similarity coefficient
1 RGK 1.0000
2 NKI 1.0000
3 SZ5 1.0000
4 3F4 1.0000
5 DFL 1.0000
6 WLH 0.9977
7 25F 0.9954
8 08C 0.9870
9 CDJ 0.9868
10 H2W 0.9867
11 F40 0.9837
12 W8L 0.9833
13 VT3 0.9822
14 E9L 0.9813
15 27F 0.9807
16 M3W 0.9802
17 5WW 0.9725
18 5NN 0.9720
19 AGI 0.9719
20 91F 0.9717
21 1V3 0.9710
22 P4L 0.9693
23 9CE 0.9688
24 7L4 0.9682
25 O53 0.9651
26 HH6 0.9633
27 6BK 0.9624
28 97K 0.9611
29 DFV 0.9610
30 3GX 0.9606
31 IDZ 0.9605
32 UAY 0.9586
33 1V0 0.9581
34 LI7 0.9580
35 C4E 0.9577
36 6DQ 0.9565
37 BJ4 0.9564
38 DDC 0.9546
39 1UT 0.9541
40 3WK 0.9528
41 DXK 0.9528
42 NAR 0.9524
43 LR2 0.9521
44 3JC 0.9518
45 272 0.9516
46 9JT 0.9510
47 F36 0.9510
48 2GQ 0.9508
49 Q0K 0.9496
50 O9T 0.9493
51 3D8 0.9490
52 NU3 0.9487
53 SGW 0.9484
54 8M5 0.9480
55 1HP 0.9475
56 57D 0.9474
57 6JM 0.9461
58 PIQ 0.9436
59 3WL 0.9433
60 LU2 0.9433
61 L2K 0.9428
62 KMP 0.9413
63 JFS 0.9413
64 YE7 0.9409
65 0UL 0.9399
66 ZEA 0.9399
67 FHI 0.9398
68 7LU 0.9397
69 F18 0.9388
70 1Q4 0.9387
71 AVX 0.9383
72 338 0.9381
73 FSE 0.9380
74 2WU 0.9379
75 U4J 0.9376
76 4ZF 0.9373
77 NIF 0.9372
78 HRD 0.9363
79 VBC 0.9363
80 S98 0.9362
81 JSX 0.9361
82 CX6 0.9360
83 S1D 0.9357
84 QUE 0.9356
85 3WN 0.9355
86 CWE 0.9355
87 3WO 0.9355
88 H75 0.9349
89 AUY 0.9345
90 U13 0.9338
91 5E5 0.9333
92 ZAR 0.9332
93 EMU 0.9328
94 ZRL 0.9328
95 7G2 0.9319
96 2QU 0.9318
97 4FF 0.9312
98 0NJ 0.9309
99 1FL 0.9308
100 GN5 0.9306
101 A9B 0.9303
102 2JX 0.9302
103 LI4 0.9301
104 G2V 0.9300
105 6QT 0.9298
106 5ZM 0.9298
107 JCZ 0.9297
108 D64 0.9287
109 CUE 0.9285
110 MR4 0.9283
111 29F 0.9280
112 ZRK 0.9280
113 2D2 0.9280
114 MHB 0.9280
115 O9Q 0.9277
116 A6W 0.9277
117 IMK 0.9276
118 7M5 0.9261
119 5B2 0.9260
120 47V 0.9260
121 0DF 0.9259
122 MJW 0.9259
123 A5H 0.9258
124 GEN 0.9257
125 6TJ 0.9256
126 4GU 0.9254
127 31F 0.9254
128 MBP 0.9252
129 LVY 0.9252
130 3TI 0.9250
131 4AU 0.9249
132 TH1 0.9247
133 IDD 0.9242
134 833 0.9238
135 AOY 0.9238
136 0SY 0.9238
137 MRE 0.9235
138 NYJ 0.9233
139 7EH 0.9226
140 1FE 0.9225
141 B7H 0.9223
142 YE6 0.9222
143 IY5 0.9222
144 OPA 0.9222
145 6JP 0.9220
146 697 0.9217
147 2P3 0.9215
148 5C1 0.9215
149 06R 0.9215
150 KTM 0.9211
151 WDW 0.9209
152 BMZ 0.9209
153 LIG 0.9208
154 7ZO 0.9207
155 78Y 0.9203
156 9OF 0.9203
157 MRI 0.9203
158 LL1 0.9202
159 Q2S 0.9201
160 196 0.9201
161 5V7 0.9198
162 1R5 0.9198
163 5F8 0.9196
164 WG8 0.9196
165 W2E 0.9196
166 5E1 0.9195
167 IQZ 0.9192
168 LUM 0.9191
169 UN9 0.9189
170 H35 0.9189
171 II4 0.9188
172 CBE 0.9187
173 IKY 0.9186
174 QUG 0.9186
175 AJ4 0.9185
176 0K7 0.9185
177 7VF 0.9184
178 HUL 0.9182
179 2J1 0.9181
180 1SF 0.9181
181 4Z1 0.9180
182 NRA 0.9179
183 4NR 0.9178
184 5VU 0.9176
185 801 0.9176
186 3CA 0.9176
187 FL8 0.9174
188 5P3 0.9173
189 MR5 0.9172
190 OTA 0.9172
191 H32 0.9171
192 BUX 0.9170
193 QC1 0.9170
194 C0W 0.9167
195 Q4G 0.9166
196 KWB 0.9166
197 S60 0.9164
198 JF8 0.9164
199 18E 0.9163
200 3AK 0.9163
201 J8D 0.9160
202 H4B 0.9160
203 UN4 0.9159
204 NW1 0.9157
205 SQM 0.9156
206 B4L 0.9155
207 FYR 0.9155
208 CMG 0.9155
209 Q5M 0.9155
210 BGU 0.9154
211 TVZ 0.9154
212 ZSP 0.9154
213 2ZI 0.9153
214 JRO 0.9153
215 5WT 0.9152
216 OSY 0.9152
217 P4T 0.9151
218 L3L 0.9150
219 28A 0.9149
220 1AJ 0.9149
221 AV6 0.9147
222 TRP 0.9147
223 802 0.9146
224 U14 0.9141
225 CR4 0.9140
226 ZTW 0.9139
227 40N 0.9139
228 AVA 0.9139
229 3SU 0.9137
230 PRL 0.9136
231 EST 0.9134
232 RVE 0.9133
233 XYP XYP 0.9132
234 1DR 0.9131
235 DH2 0.9131
236 5ER 0.9129
237 P7V 0.9128
238 K7H 0.9123
239 SAK 0.9122
240 62D 0.9121
241 MR6 0.9121
242 XYP XIF 0.9121
243 XIF XYP 0.9121
244 FCW 0.9120
245 6VW 0.9119
246 BRY 0.9118
247 EAT 0.9118
248 0OK 0.9117
249 EES 0.9117
250 1XS 0.9112
251 IK1 0.9112
252 IQW 0.9112
253 WST 0.9110
254 SNJ 0.9109
255 0H5 0.9109
256 S0D 0.9109
257 124 0.9106
258 JNW 0.9106
259 5S9 0.9105
260 2QV 0.9104
261 5FL 0.9103
262 8HH 0.9102
263 AP6 0.9101
264 397 0.9101
265 7M2 0.9101
266 4L2 0.9100
267 AXX 0.9100
268 EDZ 0.9098
269 FY8 0.9097
270 DX2 0.9097
271 120 0.9096
272 COL 0.9096
273 DQH 0.9096
274 4CN 0.9095
275 XYS XYS 0.9094
276 NPZ 0.9094
277 NEU 0.9092
278 4K2 0.9092
279 WA2 0.9090
280 Q92 0.9090
281 IPJ 0.9090
282 EQU 0.9090
283 MYC 0.9087
284 R4E 0.9086
285 BBY 0.9086
286 ESR 0.9080
287 5DE 0.9080
288 ZIP 0.9078
289 FNT 0.9077
290 DX7 0.9076
291 LWS 0.9075
292 1KN 0.9073
293 6H2 0.9073
294 X2M 0.9072
295 47X 0.9072
296 8G6 0.9071
297 GAT 0.9071
298 A9E 0.9071
299 P83 0.9071
300 122 0.9070
301 TVC 0.9070
302 XAV 0.9070
303 6XC 0.9067
304 IQQ 0.9066
305 TCR 0.9066
306 7FZ 0.9065
307 NIY 0.9065
308 6T5 0.9064
309 DX8 0.9063
310 3WJ 0.9061
311 GF7 0.9061
312 0LO 0.9061
313 6B5 0.9060
314 5E2 0.9057
315 RKY 0.9056
316 NAL 0.9055
317 PJK 0.9053
318 7FC 0.9052
319 XYS XYP 0.9052
320 57U 0.9052
321 I0G 0.9052
322 XYP XDN 0.9050
323 XDN XYP 0.9050
324 041 0.9048
325 7G0 0.9045
326 LTN 0.9044
327 121 0.9043
328 BBP 0.9041
329 1EL 0.9035
330 IOP 0.9033
331 2UV 0.9032
332 BU7 0.9031
333 T5J 0.9031
334 DTR 0.9030
335 6JO 0.9029
336 8UY 0.9029
337 ASE 0.9028
338 U19 0.9028
339 SJR 0.9027
340 6C8 0.9025
341 5TO 0.9025
342 L5D 0.9025
343 4Z9 0.9024
344 NE2 0.9024
345 HWH 0.9022
346 RF2 0.9020
347 3G5 0.9020
348 ZEZ 0.9019
349 CU8 0.9019
350 38E 0.9018
351 BVS 0.9017
352 BHS 0.9017
353 53X 0.9017
354 ERZ 0.9015
355 GVI 0.9013
356 4DE 0.9011
357 MMJ 0.9011
358 RSV 0.9010
359 245 0.9007
360 27M 0.9003
361 6MW 0.9002
362 MYU 0.9001
363 ECS 0.9001
364 HA6 0.9000
365 NVS 0.8999
366 4MP 0.8996
367 0ON 0.8995
368 OLU 0.8993
369 2UD 0.8988
370 DNQ 0.8988
371 HRM 0.8986
372 X2L 0.8986
373 5OR 0.8985
374 HWB 0.8983
375 VM1 0.8982
376 M3F 0.8982
377 15Q 0.8981
378 CZ0 0.8980
379 BIO 0.8979
380 6C5 0.8979
381 UN3 0.8977
382 3DE 0.8976
383 GJB 0.8975
384 IIH 0.8975
385 A05 0.8971
386 IXM 0.8971
387 39Z 0.8970
388 U12 0.8969
389 3Q0 0.8968
390 XDL XYP 0.8968
391 XIL 0.8968
392 5TZ 0.8965
393 5TU 0.8964
394 5KN 0.8962
395 68B 0.8961
396 LZ7 0.8959
397 QS4 0.8959
398 KF5 0.8958
399 6FG 0.8958
400 4UM 0.8957
401 2Q0 0.8955
402 ITE 0.8955
403 0X2 0.8953
404 0FR 0.8952
405 B21 0.8952
406 J3Z 0.8952
407 17M 0.8951
408 28B 0.8951
409 49P 0.8949
410 244 0.8949
411 363 0.8947
412 EI1 0.8946
413 AUV 0.8946
414 4G2 0.8946
415 KXN 0.8945
416 EEY 0.8944
417 5DN 0.8943
418 FT6 0.8942
419 M16 0.8942
420 YZ9 0.8942
421 V2Z 0.8941
422 LC1 0.8941
423 4YE 0.8941
424 AO 0.8941
425 OA4 0.8940
426 KLV 0.8939
427 ECZ 0.8937
428 JMG 0.8937
429 CHQ 0.8935
430 GB4 0.8935
431 4FC 0.8934
432 KU1 0.8933
433 SDN 0.8933
434 T21 0.8932
435 68C 0.8929
436 5WK 0.8927
437 0MB 0.8926
438 KP2 0.8924
439 XEV 0.8924
440 QME 0.8924
441 PUE 0.8923
442 QR2 0.8922
443 4HG 0.8922
444 YEX 0.8918
445 1YL 0.8917
446 H0V 0.8916
447 EVO 0.8915
448 BXZ 0.8915
449 SSY 0.8914
450 CC6 0.8913
451 AJG 0.8911
452 TID 0.8910
453 7ZL 0.8909
454 ZZA 0.8909
455 H2B 0.8909
456 EV2 0.8909
457 PQM 0.8908
458 MKN 0.8905
459 3IL 0.8905
460 CX4 0.8905
461 8CC 0.8904
462 AX1 0.8904
463 6FX 0.8903
464 DBE 0.8903
465 5H6 0.8902
466 FCD 0.8901
467 4FE 0.8901
468 JTF 0.8899
469 3VQ 0.8897
470 AJD 0.8896
471 CG 0.8896
472 FHV 0.8896
473 LFN 0.8895
474 A45 0.8894
475 L03 0.8894
476 Q11 0.8891
477 5AD 0.8890
478 P9I 0.8890
479 3C3 0.8890
480 JF5 0.8889
481 G14 0.8889
482 ZHA 0.8888
483 STL 0.8888
484 5F5 0.8885
485 5WN 0.8884
486 KLE 0.8882
487 4YF 0.8882
488 XYP XYS 0.8881
489 6C4 0.8879
490 RNP 0.8878
491 NE1 0.8876
492 2PK 0.8876
493 2PV 0.8874
494 M4N 0.8871
495 MXD 0.8871
496 AQN 0.8870
497 5YA 0.8870
498 6P3 0.8869
499 123 0.8869
500 2PW 0.8868
501 XZ1 0.8866
502 96Z 0.8866
503 D26 0.8865
504 X8E 0.8864
505 6C9 0.8864
506 LJ3 0.8862
507 5P7 0.8861
508 108 0.8861
509 XCG 0.8861
510 5XL 0.8860
511 L1T 0.8860
512 DMB 0.8859
513 YIP 0.8859
514 AKD 0.8858
515 20N 0.8858
516 D25 0.8858
517 JTA 0.8858
518 E3U 0.8857
519 JL7 0.8857
520 GJG 0.8854
521 TMG 0.8852
522 334 0.8851
523 6WU 0.8851
524 51Y 0.8849
525 NXB 0.8849
526 JVD 0.8849
527 AYS 0.8849
528 OUA 0.8848
529 GNV 0.8848
530 BIK 0.8847
531 22T 0.8847
532 52F 0.8846
533 5I5 0.8846
534 22L 0.8845
535 TYP 0.8845
536 FC2 0.8845
537 135 0.8844
538 X8I 0.8843
539 HBI 0.8843
540 SU9 0.8843
541 9BF 0.8842
542 7EL 0.8841
543 6ZE 0.8840
544 IRH 0.8840
545 PCQ 0.8839
546 MXM 0.8839
547 2OX 0.8838
548 ESZ 0.8838
549 AOX 0.8838
550 2GD 0.8838
551 ODK 0.8837
552 907 0.8837
553 OUG 0.8837
554 LR8 0.8836
555 STV 0.8835
556 X6W 0.8834
557 MUR 0.8831
558 K80 0.8831
559 1EB 0.8830
560 X48 0.8829
561 A51 0.8828
562 4F8 0.8827
563 WCU 0.8827
564 FZB 0.8825
565 6FB 0.8825
566 26C 0.8825
567 ELH 0.8824
568 5CJ 0.8823
569 BP7 0.8823
570 EY2 0.8821
571 4P9 0.8820
572 QIV 0.8819
573 0XR 0.8819
574 JKN 0.8818
575 J8G 0.8817
576 8BD 0.8816
577 CLI 0.8815
578 RCV 0.8815
579 Y3L 0.8815
580 72H 0.8814
581 5WM 0.8814
582 DHT 0.8813
583 797 0.8813
584 BGK 0.8812
585 ESL 0.8812
586 MT6 0.8809
587 HMO 0.8809
588 1ER 0.8807
589 Z3R 0.8804
590 J38 0.8801
591 DL6 0.8800
592 G6P 0.8799
593 9C8 0.8798
594 LJ1 0.8798
595 5EZ 0.8798
596 NFZ 0.8798
597 Q8G 0.8796
598 E6Q 0.8796
599 789 0.8795
600 S45 0.8794
601 P93 0.8793
602 AHR AHR 0.8792
603 205 0.8791
604 HFT 0.8791
605 5M2 0.8790
606 CFK 0.8790
607 Q7U 0.8789
608 CC5 0.8786
609 PZX 0.8784
610 4AB 0.8784
611 4QX 0.8783
612 FZ0 0.8782
613 J45 0.8781
614 1G9 0.8780
615 ESM 0.8780
616 FF2 0.8780
617 5BX 0.8778
618 AD6 0.8777
619 BXS 0.8776
620 CNI 0.8775
621 34L 0.8774
622 B2E 0.8774
623 8SK 0.8772
624 TES 0.8771
625 Q8D 0.8771
626 LZ5 0.8770
627 6SD 0.8770
628 3G1 0.8768
629 AOM 0.8767
630 B23 0.8767
631 R18 0.8766
632 92O 0.8766
633 MHD GAL 0.8766
634 EWG 0.8765
635 AMR 0.8764
636 5CQ 0.8763
637 7FU 0.8762
638 8D6 0.8761
639 WA1 0.8760
640 LEL 0.8757
641 FQX 0.8756
642 B61 0.8756
643 M78 0.8755
644 NDD 0.8751
645 PQS 0.8751
646 FER 0.8750
647 2GE 0.8749
648 21E 0.8748
649 DEH 0.8747
650 1ZC 0.8747
651 E3X 0.8746
652 MBT 0.8744
653 MFR 0.8744
654 AZY 0.8743
655 5SD 0.8742
656 56N 0.8741
657 FBC 0.8741
658 344 0.8740
659 NQ8 0.8738
660 WV7 0.8738
661 BHF 0.8737
662 SLX 0.8737
663 HPX 0.8736
664 KWV 0.8736
665 19E 0.8735
666 DT7 0.8733
667 58N 0.8733
668 ML1 0.8732
669 0SX 0.8731
670 NBZ GLA 0.8731
671 4GP 0.8730
672 S1C 0.8730
673 HCC 0.8729
674 RDV 0.8728
675 IW1 0.8728
676 FX5 0.8727
677 NQ7 0.8727
678 2LT 0.8726
679 39R 0.8726
680 M5H 0.8726
681 1OT 0.8725
682 GWD 0.8725
683 LMZ 0.8724
684 JMM 0.8724
685 ICD 0.8724
686 1Q1 0.8724
687 GNG 0.8722
688 2AN 0.8722
689 HNT 0.8720
690 3Y7 0.8720
691 U7E 0.8719
692 90G 0.8719
693 90M 0.8719
694 K4T 0.8718
695 J1K 0.8717
696 D9Z 0.8716
697 MQR 0.8715
698 3N0 0.8714
699 AJ1 0.8713
700 RDM 0.8710
701 4HB 0.8710
702 A8D 0.8708
703 5CK 0.8707
704 IRG 0.8707
705 72G 0.8704
706 9UL 0.8704
707 8E3 0.8702
708 TFX 0.8700
709 32F 0.8699
710 F5C 0.8699
711 LJ2 0.8698
712 RHN 0.8698
713 6WL 0.8697
714 9TF 0.8696
715 3D1 0.8695
716 K8W 0.8695
717 LOT 0.8694
718 DTQ 0.8693
719 UL1 0.8692
720 69W 0.8690
721 TQ1 0.8689
722 ESJ 0.8688
723 GNJ 0.8687
724 FZM 0.8687
725 4R0 0.8686
726 5XM 0.8686
727 PNW 0.8686
728 KN1 0.8683
729 ALH 0.8680
730 KYN 0.8676
731 QKU 0.8675
732 ZME 0.8673
733 XI7 0.8673
734 36K 0.8673
735 LJ5 0.8671
736 JP2 0.8671
737 BSU 0.8670
738 ANC 0.8668
739 79X 0.8666
740 VC3 0.8666
741 TLF 0.8664
742 FT2 0.8664
743 6F3 0.8663
744 DRG 0.8660
745 OAL 0.8659
746 A7Q 0.8657
747 6EN 0.8656
748 PNJ 0.8655
749 F38 0.8652
750 GJK 0.8651
751 WUB 0.8650
752 EMO 0.8650
753 MQS 0.8650
754 TCC 0.8650
755 DHC 0.8647
756 KLS 0.8647
757 83D 0.8643
758 PLP 0.8638
759 SXX 0.8638
760 ESE 0.8637
761 5TT 0.8637
762 LFQ 0.8635
763 8V8 0.8635
764 6ZW 0.8632
765 WS7 0.8631
766 517 0.8629
767 BQ5 0.8629
768 STR 0.8627
769 NXY 0.8627
770 AZN 0.8626
771 AON 0.8626
772 5TY 0.8626
773 E1K 0.8625
774 M08 0.8620
775 JWS 0.8620
776 6J3 0.8619
777 EAJ 0.8617
778 3CX 0.8615
779 BVB 0.8614
780 ASD 0.8614
781 6QF 0.8614
782 2FX 0.8609
783 BNY 0.8607
784 3C5 0.8604
785 E92 0.8604
786 IS2 0.8601
787 RDL 0.8601
788 JGB 0.8599
789 3UG 0.8599
790 5Z5 0.8596
791 NOM 0.8593
792 X0T 0.8593
793 S62 0.8591
794 FSU 0.8591
795 EBB 0.8588
796 113 0.8587
797 TXQ 0.8585
798 3Q1 0.8585
799 BGC BGC 0.8583
800 PE2 0.8583
801 N91 0.8582
802 ISX 0.8581
803 M77 0.8581
804 BER 0.8581
805 BX4 0.8579
806 GB5 0.8578
807 F1T 0.8573
808 6PB 0.8567
809 VGS 0.8563
810 DUR 0.8562
811 LZ4 0.8561
812 01I 0.8560
813 IA2 0.8560
814 3D3 0.8558
815 ID8 0.8547
816 DZ1 0.8543
817 ML2 0.8540
818 609 0.8539
819 VFJ 0.8533
820 ANB 0.8529
821 GOE 0.8526
822 3VS 0.8526
823 1QV 0.8523
824 8NB 0.8506
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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