Receptor
PDB id Resolution Class Description Source Keywords
4KZU 2.1 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 4' -B 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...
A73 B:1201;
A:1201;
 Valid;
Valid;
 none;
none;
 submit data
301.135 C15 H9 Br 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: A73; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 A73 1 1
2 1V1 0.673469 0.928571
3 20D 0.673469 0.928571
4 A63 0.66 0.741935
5 A64 0.634615 0.766667
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 0.4 0.896552
Similar Ligands (3D)
Ligand no: 1; Ligand: A73; Similar ligands found: 805
No: Ligand Similarity coefficient
1 25F 1.0000
2 NKI 1.0000
3 RGK 1.0000
4 SZ5 0.9986
5 3F4 0.9972
6 DFL 0.9941
7 WLH 0.9914
8 08C 0.9891
9 27F 0.9878
10 H2W 0.9876
11 CDJ 0.9875
12 W8L 0.9839
13 F40 0.9833
14 M3W 0.9799
15 VT3 0.9790
16 E9L 0.9781
17 91F 0.9744
18 5WW 0.9716
19 7L4 0.9708
20 1V3 0.9674
21 AGI 0.9653
22 9CE 0.9650
23 5NN 0.9646
24 HH6 0.9636
25 P4L 0.9613
26 O53 0.9612
27 1V0 0.9610
28 DFV 0.9606
29 3GX 0.9601
30 DXK 0.9591
31 F36 0.9569
32 1UT 0.9554
33 O9T 0.9541
34 2GQ 0.9538
35 BJ4 0.9529
36 IDZ 0.9526
37 97K 0.9523
38 6BK 0.9505
39 C4E 0.9504
40 SGW 0.9496
41 DDC 0.9480
42 LR2 0.9479
43 NAR 0.9478
44 3JC 0.9476
45 LI7 0.9474
46 Q0K 0.9454
47 6DQ 0.9449
48 O9Z 0.9438
49 9JT 0.9435
50 272 0.9435
51 1HP 0.9429
52 3D8 0.9422
53 3WK 0.9421
54 57D 0.9421
55 KMP 0.9420
56 JFS 0.9411
57 NU3 0.9410
58 6JM 0.9402
59 YE7 0.9400
60 LU2 0.9394
61 UAY 0.9390
62 ZEA 0.9382
63 H75 0.9376
64 L2K 0.9375
65 PIQ 0.9373
66 HRD 0.9368
67 5E5 0.9367
68 3WL 0.9366
69 AVX 0.9364
70 CX6 0.9362
71 2JX 0.9356
72 VBC 0.9351
73 0UL 0.9345
74 FHI 0.9343
75 JSX 0.9342
76 S1D 0.9341
77 338 0.9340
78 U13 0.9340
79 F18 0.9339
80 U4J 0.9335
81 A9B 0.9334
82 2WU 0.9332
83 AUY 0.9325
84 CWE 0.9325
85 2QU 0.9324
86 8M5 0.9321
87 S98 0.9321
88 A5H 0.9316
89 4FF 0.9315
90 6QT 0.9314
91 2D2 0.9309
92 FSE 0.9305
93 7LU 0.9300
94 29F 0.9295
95 NYJ 0.9295
96 QUE 0.9294
97 31F 0.9289
98 GN5 0.9284
99 5V7 0.9283
100 NIF 0.9282
101 833 0.9282
102 JCZ 0.9280
103 4GU 0.9280
104 1Q4 0.9279
105 4ZF 0.9277
106 4AU 0.9272
107 0NJ 0.9271
108 LL1 0.9271
109 78Y 0.9270
110 06R 0.9268
111 D64 0.9267
112 ZAR 0.9265
113 B7H 0.9264
114 7M5 0.9257
115 5B2 0.9253
116 5ZM 0.9252
117 MHB 0.9251
118 1FL 0.9249
119 3WN 0.9246
120 3WO 0.9246
121 CUE 0.9244
122 II4 0.9242
123 2P3 0.9241
124 ZRK 0.9240
125 5F8 0.9238
126 0DF 0.9235
127 7EH 0.9227
128 7G2 0.9227
129 AVA 0.9227
130 1FE 0.9224
131 P7V 0.9222
132 6JP 0.9221
133 W2E 0.9220
134 ZRL 0.9216
135 3CA 0.9212
136 5P3 0.9212
137 EQA 0.9212
138 MBP 0.9211
139 A9E 0.9211
140 IQZ 0.9210
141 MRE 0.9209
142 NRA 0.9208
143 IKY 0.9208
144 9OF 0.9208
145 Q4G 0.9201
146 KWB 0.9201
147 S60 0.9201
148 LUM 0.9200
149 MR4 0.9200
150 LVY 0.9200
151 OPA 0.9199
152 47V 0.9196
153 O9Q 0.9194
154 A6W 0.9191
155 5C1 0.9189
156 0K7 0.9187
157 OSY 0.9183
158 RVE 0.9183
159 GEN 0.9182
160 3TI 0.9182
161 BGU 0.9179
162 MJW 0.9178
163 WDW 0.9178
164 LIG 0.9177
165 YE6 0.9177
166 5E1 0.9176
167 6TJ 0.9176
168 IY5 0.9174
169 MRI 0.9172
170 JRO 0.9170
171 IQW 0.9165
172 G2V 0.9163
173 XAV 0.9159
174 BUX 0.9159
175 0SY 0.9159
176 LI4 0.9159
177 1R5 0.9159
178 28A 0.9158
179 HUL 0.9155
180 196 0.9153
181 4Z1 0.9152
182 7VF 0.9150
183 J8D 0.9149
184 R4E 0.9149
185 JF8 0.9149
186 2ZI 0.9147
187 FL8 0.9147
188 UN9 0.9146
189 BBY 0.9145
190 CMG 0.9145
191 18E 0.9141
192 C0W 0.9138
193 ZSP 0.9137
194 802 0.9136
195 EMU 0.9134
196 WG8 0.9134
197 P83 0.9133
198 OTA 0.9133
199 1AJ 0.9130
200 SAK 0.9130
201 CBE 0.9129
202 1SF 0.9128
203 XYP XIF 0.9128
204 XIF XYP 0.9128
205 5FL 0.9127
206 0OK 0.9126
207 H4B 0.9126
208 TRP 0.9125
209 801 0.9125
210 7ZO 0.9125
211 CR4 0.9123
212 NVS 0.9123
213 TCR 0.9122
214 4NR 0.9120
215 BMZ 0.9119
216 5TZ 0.9119
217 2QV 0.9118
218 7M2 0.9117
219 3AK 0.9116
220 IMK 0.9114
221 AJ4 0.9113
222 X2M 0.9112
223 QUG 0.9112
224 EST 0.9110
225 IQQ 0.9110
226 H32 0.9107
227 COL 0.9106
228 LTN 0.9102
229 2J1 0.9100
230 0LO 0.9099
231 FYR 0.9099
232 ZTW 0.9098
233 FCW 0.9097
234 IDD 0.9096
235 TVZ 0.9095
236 2UV 0.9094
237 H35 0.9094
238 AV6 0.9093
239 DQH 0.9089
240 57U 0.9088
241 697 0.9088
242 IOP 0.9088
243 WST 0.9088
244 KF5 0.9086
245 DH2 0.9085
246 8G6 0.9084
247 1DR 0.9084
248 1XS 0.9082
249 5WT 0.9080
250 8HH 0.9080
251 U14 0.9080
252 LWS 0.9078
253 CU8 0.9077
254 S0D 0.9075
255 120 0.9075
256 AP6 0.9075
257 0H5 0.9073
258 XYP XYP 0.9071
259 P4T 0.9071
260 62D 0.9070
261 6T5 0.9070
262 5VU 0.9069
263 124 0.9069
264 4CN 0.9068
265 L5D 0.9067
266 DTR 0.9065
267 7FC 0.9065
268 U19 0.9064
269 AXX 0.9064
270 FNT 0.9063
271 GVI 0.9061
272 K7H 0.9059
273 I0G 0.9059
274 Q2S 0.9058
275 363 0.9058
276 4G2 0.9056
277 PRL 0.9055
278 HA6 0.9054
279 DX8 0.9053
280 5ER 0.9053
281 B4L 0.9052
282 VM1 0.9051
283 ESR 0.9050
284 FY8 0.9050
285 JNW 0.9048
286 TH1 0.9047
287 1EL 0.9045
288 XYP XDN 0.9044
289 XDN XYP 0.9044
290 AOY 0.9044
291 3G5 0.9044
292 Q5M 0.9043
293 6MW 0.9043
294 5S9 0.9041
295 5DE 0.9041
296 EAT 0.9040
297 27M 0.9039
298 122 0.9039
299 MR5 0.9038
300 L3L 0.9038
301 3WJ 0.9038
302 GAT 0.9034
303 6VW 0.9033
304 QC1 0.9033
305 DNQ 0.9032
306 NE2 0.9032
307 4L2 0.9031
308 BVS 0.9030
309 XYS XYS 0.9028
310 EES 0.9028
311 5TU 0.9026
312 ZIP 0.9025
313 0FR 0.9025
314 49P 0.9024
315 BRY 0.9023
316 BIO 0.9021
317 EQU 0.9021
318 IPJ 0.9020
319 6H2 0.9020
320 40N 0.9017
321 2UD 0.9017
322 SJR 0.9015
323 DX2 0.9013
324 6B5 0.9011
325 6JO 0.9011
326 BBP 0.9008
327 4K2 0.9003
328 NPZ 0.9000
329 P9I 0.9000
330 8UY 0.8999
331 47X 0.8998
332 NIY 0.8996
333 7FZ 0.8996
334 5F5 0.8996
335 AUV 0.8996
336 53X 0.8995
337 4DE 0.8993
338 3IL 0.8993
339 397 0.8993
340 NAL 0.8992
341 MYC 0.8989
342 SNJ 0.8988
343 EVO 0.8988
344 ZZA 0.8988
345 NEU 0.8985
346 DX7 0.8985
347 UN4 0.8984
348 5E2 0.8984
349 9BF 0.8983
350 CZ0 0.8981
351 4Z9 0.8980
352 XYS XYP 0.8978
353 MR6 0.8978
354 38E 0.8976
355 M16 0.8976
356 NW1 0.8975
357 7G0 0.8975
358 3Y7 0.8974
359 4FC 0.8974
360 6XC 0.8974
361 PUE 0.8974
362 B21 0.8973
363 XIL 0.8969
364 3SU 0.8969
365 7ZL 0.8969
366 XDL XYP 0.8969
367 121 0.8965
368 HRM 0.8964
369 4UM 0.8964
370 ITE 0.8963
371 3VQ 0.8963
372 39Z 0.8961
373 JMG 0.8959
374 PJK 0.8958
375 UN3 0.8958
376 XEV 0.8957
377 KP2 0.8956
378 FCD 0.8954
379 BHS 0.8952
380 6C8 0.8952
381 MYU 0.8950
382 ERZ 0.8949
383 AMR 0.8948
384 5AD 0.8947
385 RSV 0.8945
386 TVC 0.8943
387 WA2 0.8940
388 LJ3 0.8940
389 5DN 0.8940
390 135 0.8936
391 QR2 0.8936
392 MXD 0.8935
393 M3F 0.8935
394 OLU 0.8935
395 15Q 0.8934
396 V2Z 0.8934
397 HWB 0.8934
398 5H6 0.8933
399 YZ9 0.8933
400 HWH 0.8932
401 KLE 0.8932
402 ASE 0.8932
403 BIK 0.8931
404 L03 0.8929
405 KXN 0.8927
406 X2L 0.8926
407 ECS 0.8924
408 72H 0.8924
409 5OR 0.8924
410 9C8 0.8922
411 0ON 0.8920
412 SSY 0.8920
413 4HG 0.8920
414 ECZ 0.8919
415 5TO 0.8919
416 6FG 0.8919
417 6C5 0.8918
418 8CC 0.8918
419 EDZ 0.8915
420 5WN 0.8912
421 GNV 0.8911
422 JTA 0.8911
423 NXB 0.8910
424 68B 0.8910
425 G14 0.8909
426 CC6 0.8908
427 3DE 0.8905
428 244 0.8903
429 SDN 0.8901
430 AO 0.8901
431 QME 0.8901
432 CX4 0.8901
433 CNI 0.8900
434 ODK 0.8900
435 5KN 0.8898
436 LFN 0.8898
437 IK1 0.8897
438 Q92 0.8897
439 2GD 0.8896
440 AJD 0.8894
441 KLV 0.8893
442 QS4 0.8892
443 L1T 0.8891
444 LZ7 0.8890
445 NE1 0.8889
446 5P7 0.8889
447 5WK 0.8889
448 IXM 0.8889
449 3C3 0.8889
450 334 0.8889
451 1YL 0.8888
452 52F 0.8888
453 6FB 0.8887
454 LEL 0.8885
455 041 0.8882
456 A05 0.8880
457 ZHA 0.8880
458 XCG 0.8880
459 FHV 0.8879
460 STV 0.8879
461 BXZ 0.8878
462 17M 0.8878
463 X48 0.8877
464 X6W 0.8876
465 GB4 0.8872
466 H2B 0.8872
467 M4N 0.8872
468 TID 0.8872
469 123 0.8871
470 TMG 0.8871
471 PQM 0.8871
472 AYS 0.8871
473 SU9 0.8870
474 T5J 0.8865
475 KU1 0.8863
476 RF2 0.8862
477 0XR 0.8862
478 5I5 0.8862
479 FT6 0.8861
480 YEX 0.8860
481 CHQ 0.8860
482 AKD 0.8860
483 EV2 0.8859
484 22L 0.8858
485 BP7 0.8858
486 907 0.8858
487 CC5 0.8858
488 JVD 0.8858
489 Q11 0.8856
490 PCQ 0.8856
491 U12 0.8856
492 FQX 0.8856
493 M5H 0.8852
494 AJG 0.8852
495 245 0.8852
496 DBE 0.8852
497 6QX 0.8850
498 FC2 0.8849
499 DHT 0.8849
500 GJB 0.8848
501 EWG 0.8848
502 IIH 0.8848
503 BU7 0.8846
504 CLI 0.8845
505 6C9 0.8844
506 6C4 0.8844
507 9FH 0.8843
508 JF5 0.8842
509 ZEZ 0.8842
510 22T 0.8841
511 1ER 0.8841
512 3Q0 0.8841
513 0MB 0.8841
514 SNP 0.8840
515 T21 0.8839
516 MUR 0.8837
517 ELH 0.8836
518 9UL 0.8835
519 797 0.8835
520 DRG 0.8833
521 K80 0.8833
522 96Z 0.8833
523 68C 0.8832
524 MBT 0.8832
525 LC1 0.8832
526 OA4 0.8831
527 JTF 0.8830
528 E3U 0.8829
529 5XL 0.8827
530 AOX 0.8827
531 MXM 0.8826
532 108 0.8825
533 8D6 0.8824
534 MFR 0.8824
535 6P3 0.8823
536 PZX 0.8822
537 SQM 0.8821
538 B61 0.8819
539 DL6 0.8819
540 U7E 0.8819
541 LR8 0.8819
542 H0V 0.8818
543 5SD 0.8818
544 344 0.8818
545 LZ5 0.8818
546 J3Z 0.8817
547 2PV 0.8817
548 28B 0.8816
549 WCU 0.8815
550 2PK 0.8813
551 S1C 0.8812
552 STL 0.8812
553 7EL 0.8812
554 ADN 0.8811
555 HBI 0.8811
556 4QX 0.8810
557 51Y 0.8808
558 L07 0.8806
559 5YA 0.8804
560 19E 0.8803
561 JKN 0.8799
562 6SD 0.8798
563 4F8 0.8798
564 4YE 0.8797
565 AOM 0.8795
566 4P9 0.8795
567 QIV 0.8795
568 2PW 0.8794
569 AX1 0.8793
570 HNT 0.8790
571 F5C 0.8790
572 0X2 0.8790
573 1ZC 0.8788
574 36I 0.8788
575 OUA 0.8787
576 6FX 0.8787
577 MKN 0.8786
578 AD6 0.8783
579 TYP 0.8783
580 8SK 0.8782
581 B2E 0.8781
582 CFK 0.8779
583 90G 0.8778
584 32F 0.8777
585 D25 0.8777
586 5WM 0.8776
587 4FE 0.8775
588 WV7 0.8775
589 34L 0.8775
590 TES 0.8774
591 4AB 0.8773
592 IRH 0.8772
593 Q8D 0.8772
594 6WU 0.8772
595 JP2 0.8770
596 FF2 0.8770
597 2Q0 0.8769
598 Y3L 0.8769
599 1VG 0.8767
600 KWV 0.8766
601 NFZ 0.8765
602 XZ1 0.8765
603 AQN 0.8764
604 2AN 0.8763
605 VUP 0.8762
606 GNG 0.8761
607 ANC 0.8761
608 56N 0.8761
609 P93 0.8760
610 B23 0.8758
611 QKU 0.8757
612 BG6 0.8756
613 G6P 0.8756
614 Q8G 0.8753
615 J8G 0.8753
616 6ZE 0.8752
617 J38 0.8751
618 X8I 0.8751
619 NQ7 0.8750
620 IQ5 0.8749
621 FT2 0.8749
622 J45 0.8748
623 26C 0.8746
624 5BX 0.8745
625 JL7 0.8745
626 D26 0.8745
627 OCZ 0.8745
628 4GP 0.8743
629 WF4 0.8743
630 OUG 0.8742
631 PQS 0.8742
632 4I8 0.8742
633 GZV 0.8742
634 K48 0.8741
635 NQ8 0.8740
636 7FU 0.8740
637 YIP 0.8740
638 6J3 0.8740
639 HMO 0.8739
640 M78 0.8738
641 N91 0.8738
642 M9N 0.8738
643 SLX 0.8737
644 JWS 0.8737
645 PLP 0.8736
646 3D1 0.8736
647 FZB 0.8734
648 ZME 0.8733
649 5EZ 0.8733
650 D1Y 0.8732
651 DEH 0.8730
652 92O 0.8730
653 MEX 0.8729
654 JGB 0.8729
655 D9Z 0.8729
656 6ZW 0.8729
657 0SX 0.8728
658 E6Q 0.8728
659 9TF 0.8727
660 E3X 0.8725
661 2GE 0.8724
662 AJ1 0.8721
663 GNJ 0.8721
664 BHF 0.8716
665 XI7 0.8715
666 205 0.8715
667 FZM 0.8715
668 NDD 0.8715
669 3N0 0.8715
670 4YF 0.8714
671 5M2 0.8713
672 FER 0.8712
673 X8E 0.8711
674 LMZ 0.8710
675 RCV 0.8710
676 Z21 0.8709
677 3L1 0.8709
678 6QF 0.8708
679 TFX 0.8708
680 DMB 0.8707
681 KYN 0.8706
682 HCC 0.8706
683 WS7 0.8705
684 20N 0.8704
685 S45 0.8704
686 1EB 0.8703
687 5XM 0.8697
688 1G9 0.8696
689 GWD 0.8695
690 Q7U 0.8695
691 MHD GAL 0.8695
692 PNW 0.8695
693 1Q1 0.8694
694 R18 0.8693
695 DHC 0.8693
696 2LT 0.8692
697 J1K 0.8689
698 90M 0.8687
699 GJG 0.8687
700 A7Q 0.8687
701 72G 0.8687
702 ALH 0.8686
703 ESZ 0.8684
704 F38 0.8682
705 IRG 0.8682
706 BA5 0.8681
707 BZE 0.8679
708 RDM 0.8678
709 FBC 0.8678
710 6PB 0.8676
711 MT6 0.8675
712 4HB 0.8675
713 A8D 0.8675
714 EAJ 0.8674
715 3C5 0.8673
716 WUB 0.8672
717 ZYQ 0.8669
718 5CJ 0.8668
719 Z3R 0.8667
720 0FZ 0.8667
721 RNP 0.8666
722 THM 0.8665
723 KYA 0.8663
724 KN1 0.8659
725 TCC 0.8658
726 6WL 0.8658
727 VC3 0.8658
728 54X 0.8658
729 BPU 0.8658
730 E1K 0.8656
731 GJK 0.8655
732 K8W 0.8654
733 LFQ 0.8654
734 RDV 0.8653
735 TQ1 0.8652
736 96R 0.8652
737 TLF 0.8652
738 8E3 0.8651
739 VFJ 0.8651
740 BPY 0.8649
741 DE7 0.8649
742 2FX 0.8645
743 5TY 0.8643
744 1QV 0.8643
745 EMO 0.8643
746 79X 0.8643
747 MQR 0.8640
748 58N 0.8637
749 UL1 0.8636
750 GO2 0.8635
751 FX5 0.8631
752 ICD 0.8630
753 X0T 0.8630
754 2UZ 0.8625
755 KLS 0.8624
756 GOE 0.8623
757 30G 0.8622
758 LJ1 0.8622
759 DTQ 0.8620
760 SXX 0.8618
761 AON 0.8617
762 CG 0.8617
763 MD6 0.8615
764 01I 0.8614
765 ESJ 0.8613
766 ISX 0.8611
767 BZJ 0.8608
768 IA2 0.8602
769 ESE 0.8601
770 V1T 0.8600
771 Y27 0.8599
772 69W 0.8596
773 X0U 0.8596
774 ID8 0.8594
775 TXQ 0.8592
776 2K8 0.8590
777 RHN 0.8590
778 RDL 0.8587
779 FSU 0.8583
780 BGC BGC 0.8581
781 QMS 0.8579
782 5Z5 0.8575
783 5CK 0.8575
784 CKA 0.8575
785 A5Q 0.8574
786 3UG 0.8573
787 MQS 0.8572
788 96U 0.8571
789 5OO 0.8570
790 NXY 0.8562
791 5F1 0.8560
792 HHS 0.8559
793 3VS 0.8558
794 S62 0.8556
795 VGS 0.8551
796 68A 0.8549
797 113 0.8549
798 8V8 0.8547
799 83D 0.8546
800 ANB 0.8543
801 613 0.8540
802 FC3 0.8530
803 GB5 0.8525
804 BER 0.8523
805 EAE 0.8505
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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