Receptor
PDB id Resolution Class Description Source Keywords
5nwc 1.5 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF TNKS2 IN COMPLEX WITH 2-(2-AMINOPHENYL) 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1202;
B:1201;
A:1201;
I:1201;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
GOL B:1204;
H:1201;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ZN A:1203;
B:1202;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
9CE A:1204;
B:1203;
 Valid;
Valid;
 none;
none;
 ic50 = 700 nM
237.257 C14 H11 N3 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: 9CE; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 9CE 1 1
2 RGK 0.553571 0.9
3 F40 0.537037 0.825
4 97H 0.525424 0.925
5 AQO 0.509804 0.790698
6 25F 0.508772 0.75
7 08C 0.508475 0.702128
8 SZ5 0.5 0.804878
9 3F4 0.5 0.755556
10 91F 0.5 0.717391
11 F36 0.491803 0.75
12 9AN 0.491803 0.777778
13 06R 0.483333 0.733333
14 29F 0.483333 0.733333
15 27F 0.47541 0.804878
16 9A8 0.46875 0.708333
17 9AQ 0.46875 0.66
18 32F 0.455882 0.636364
19 9AW 0.453125 0.804878
20 MEW 0.45283 0.756098
21 9C8 0.446154 0.666667
22 W2E 0.439394 0.6875
23 9B2 0.432836 0.653846
24 97K 0.428571 0.744681
25 F37 0.42029 0.672727
26 16I 0.4 0.765957
Similar Ligands (3D)
Ligand no: 1; Ligand: 9CE; Similar ligands found: 814
No: Ligand Similarity coefficient
1 7L4 0.9739
2 WLH 0.9729
3 NKI 0.9721
4 20D 0.9688
5 DFL 0.9686
6 1V1 0.9666
7 P4L 0.9653
8 A73 0.9650
9 5NN 0.9642
10 1V3 0.9619
11 3GX 0.9591
12 DXK 0.9590
13 6DQ 0.9570
14 M3W 0.9523
15 VT3 0.9521
16 1V4 0.9518
17 II4 0.9514
18 CDJ 0.9503
19 W8L 0.9499
20 H2W 0.9490
21 E9L 0.9469
22 5B2 0.9459
23 2QU 0.9453
24 IDZ 0.9444
25 0UL 0.9442
26 FHI 0.9433
27 LL1 0.9429
28 5E5 0.9428
29 5P3 0.9426
30 2GQ 0.9415
31 5V7 0.9415
32 WVV 0.9409
33 3D8 0.9399
34 4GU 0.9397
35 TRP 0.9392
36 Q4G 0.9391
37 NRA 0.9380
38 2D2 0.9378
39 NYJ 0.9376
40 XIF XYP 0.9375
41 XYP XIF 0.9375
42 IQQ 0.9372
43 DDC 0.9371
44 JCZ 0.9371
45 AVX 0.9370
46 6QT 0.9368
47 0OK 0.9364
48 C4E 0.9364
49 PIQ 0.9360
50 CX6 0.9359
51 AJ4 0.9358
52 4AU 0.9358
53 78Y 0.9357
54 0DF 0.9356
55 L5D 0.9355
56 Q0K 0.9355
57 JF8 0.9354
58 LI7 0.9352
59 2J1 0.9349
60 ZSP 0.9343
61 LWS 0.9337
62 X2M 0.9336
63 DX2 0.9335
64 AVA 0.9335
65 57D 0.9334
66 6BK 0.9332
67 1Q4 0.9330
68 4FF 0.9329
69 3JC 0.9328
70 3AK 0.9326
71 0LO 0.9325
72 2QV 0.9324
73 AGI 0.9323
74 AUV 0.9322
75 5F8 0.9318
76 LUM 0.9313
77 5I5 0.9312
78 1FL 0.9309
79 A63 0.9305
80 H75 0.9298
81 HH6 0.9298
82 5FL 0.9297
83 1SF 0.9294
84 RVE 0.9292
85 S1D 0.9291
86 JSX 0.9290
87 IQZ 0.9289
88 DFV 0.9285
89 VBC 0.9282
90 YE7 0.9281
91 2JX 0.9280
92 833 0.9267
93 272 0.9267
94 LVY 0.9267
95 3WK 0.9265
96 4ZF 0.9263
97 ZRK 0.9260
98 1YL 0.9258
99 BGU 0.9258
100 7EH 0.9257
101 TCR 0.9256
102 5TZ 0.9253
103 1HP 0.9250
104 JRO 0.9247
105 DNQ 0.9242
106 O9Q 0.9239
107 EQU 0.9238
108 S60 0.9234
109 9UL 0.9230
110 NAR 0.9230
111 4G2 0.9225
112 IXM 0.9224
113 XYP XYP 0.9223
114 9JT 0.9220
115 H4B 0.9219
116 0SY 0.9215
117 LR2 0.9212
118 LU2 0.9202
119 FCW 0.9201
120 3WL 0.9200
121 UAY 0.9199
122 4Z9 0.9197
123 EST 0.9197
124 28A 0.9196
125 1V8 0.9195
126 5VU 0.9194
127 5AD 0.9194
128 19E 0.9188
129 ZRL 0.9185
130 NIF 0.9184
131 EAJ 0.9183
132 EVO 0.9176
133 2P3 0.9175
134 J3Z 0.9175
135 CUE 0.9174
136 CC6 0.9174
137 CBE 0.9173
138 FYR 0.9172
139 1DR 0.9171
140 0FR 0.9169
141 5C1 0.9167
142 1ER 0.9166
143 XDL XYP 0.9165
144 3CA 0.9165
145 S98 0.9162
146 O9Z 0.9159
147 XYS XYP 0.9156
148 XYS XYS 0.9156
149 3WN 0.9155
150 3WO 0.9155
151 5WW 0.9154
152 EV2 0.9154
153 39Z 0.9153
154 A6W 0.9153
155 9OF 0.9153
156 18E 0.9150
157 KWB 0.9148
158 6TJ 0.9148
159 XEV 0.9148
160 FCD 0.9147
161 CZ0 0.9145
162 M3F 0.9145
163 WG8 0.9144
164 1UZ 0.9142
165 JFS 0.9141
166 O9T 0.9137
167 Q2S 0.9135
168 8HH 0.9134
169 LIG 0.9132
170 HRD 0.9129
171 KW7 0.9129
172 40N 0.9128
173 MHB 0.9127
174 BBY 0.9126
175 363 0.9125
176 6XC 0.9125
177 XDN XYP 0.9124
178 XYP XDN 0.9124
179 Q11 0.9123
180 7ZL 0.9121
181 BJ4 0.9120
182 SGW 0.9118
183 KMP 0.9118
184 BRY 0.9116
185 L3L 0.9110
186 5E1 0.9110
187 51Y 0.9109
188 KF5 0.9107
189 B4L 0.9107
190 27M 0.9106
191 2WU 0.9106
192 EAT 0.9106
193 NE2 0.9106
194 LJ3 0.9105
195 JTA 0.9105
196 GNV 0.9103
197 YE6 0.9101
198 FQX 0.9098
199 1XS 0.9098
200 4L2 0.9095
201 QKU 0.9091
202 6JM 0.9091
203 U13 0.9090
204 F18 0.9088
205 28B 0.9087
206 5S9 0.9087
207 CWE 0.9085
208 G14 0.9085
209 RSV 0.9085
210 49P 0.9084
211 VM1 0.9079
212 344 0.9079
213 L2K 0.9079
214 7LU 0.9077
215 ZZA 0.9077
216 2PV 0.9076
217 6PB 0.9071
218 PRL 0.9069
219 4CN 0.9069
220 B7H 0.9067
221 5XL 0.9066
222 7G2 0.9063
223 FT6 0.9060
224 P4T 0.9059
225 1EL 0.9059
226 1ZC 0.9059
227 96Z 0.9058
228 BXZ 0.9057
229 6EN 0.9055
230 P9I 0.9053
231 MFR 0.9052
232 IDD 0.9050
233 OPA 0.9050
234 B21 0.9049
235 47V 0.9049
236 AJD 0.9049
237 CUH 0.9049
238 9FH 0.9048
239 CNI 0.9048
240 DX7 0.9047
241 A5H 0.9046
242 MR4 0.9043
243 CHQ 0.9042
244 LFN 0.9042
245 ARJ 0.9042
246 NOC 0.9042
247 2GD 0.9041
248 SQM 0.9040
249 GEN 0.9039
250 3DE 0.9037
251 6FB 0.9037
252 ODK 0.9036
253 SNJ 0.9035
254 B2T 0.9035
255 QUE 0.9035
256 3VQ 0.9033
257 U14 0.9032
258 OTA 0.9031
259 XIL 0.9031
260 IKY 0.9031
261 A9B 0.9030
262 9TF 0.9030
263 AOY 0.9028
264 5ER 0.9028
265 CMG 0.9028
266 OA4 0.9027
267 5F5 0.9026
268 1FE 0.9025
269 CC5 0.9024
270 YZ9 0.9023
271 LI4 0.9022
272 3Y7 0.9022
273 FSE 0.9020
274 196 0.9019
275 5CD 0.9017
276 38B 0.9017
277 0NJ 0.9016
278 KLE 0.9015
279 ANC 0.9014
280 3D1 0.9013
281 6MW 0.9012
282 D64 0.9011
283 JMG 0.9009
284 8SK 0.9009
285 53X 0.9007
286 EAE 0.9007
287 U4J 0.9006
288 MEX 0.9006
289 WCU 0.9005
290 1A5 0.9005
291 X48 0.9004
292 5WT 0.9003
293 JGB 0.9003
294 NDD 0.9002
295 C0W 0.9002
296 338 0.9001
297 BIO 0.9001
298 NQ7 0.9001
299 ADN 0.8999
300 PUE 0.8998
301 BIK 0.8996
302 C0H 0.8995
303 ERZ 0.8993
304 N1E 0.8992
305 DRG 0.8991
306 NIY 0.8990
307 6VW 0.8990
308 QR2 0.8988
309 MXD 0.8988
310 M4N 0.8987
311 5ZM 0.8986
312 3SU 0.8986
313 COL 0.8985
314 1V0 0.8984
315 5WK 0.8983
316 NU3 0.8983
317 AP6 0.8983
318 3WJ 0.8980
319 JF5 0.8980
320 EMU 0.8980
321 JWS 0.8979
322 6J9 0.8979
323 5FD 0.8977
324 2K8 0.8975
325 HA6 0.8975
326 BP7 0.8975
327 8G6 0.8974
328 3C3 0.8973
329 GNJ 0.8972
330 PCQ 0.8968
331 ZEA 0.8968
332 AKD 0.8966
333 EWG 0.8965
334 8CC 0.8964
335 MRI 0.8964
336 7FZ 0.8964
337 AUY 0.8963
338 5TY 0.8962
339 TMG 0.8962
340 36Z 0.8962
341 QC1 0.8961
342 S0D 0.8961
343 FC2 0.8960
344 6QF 0.8959
345 FY8 0.8959
346 LR8 0.8958
347 NAL 0.8956
348 ZAR 0.8955
349 N0Z 0.8955
350 1AJ 0.8955
351 7ZO 0.8955
352 G2V 0.8954
353 5SD 0.8954
354 801 0.8952
355 1UT 0.8951
356 H2B 0.8950
357 TXQ 0.8950
358 H35 0.8949
359 Q5M 0.8948
360 HRM 0.8948
361 BMC 0.8947
362 L1T 0.8946
363 RHN 0.8945
364 WS6 0.8943
365 ZME 0.8943
366 MUR 0.8941
367 2PK 0.8941
368 LEL 0.8939
369 IOP 0.8937
370 ITE 0.8937
371 121 0.8936
372 JY4 0.8935
373 XCG 0.8935
374 6H2 0.8933
375 TCC 0.8932
376 MBP 0.8931
377 D9Z 0.8930
378 4K2 0.8928
379 8M5 0.8926
380 A64 0.8925
381 LZ5 0.8925
382 4F8 0.8925
383 4AB 0.8924
384 8D6 0.8923
385 KCH 0.8921
386 6P3 0.8921
387 17M 0.8920
388 Z16 0.8920
389 HBI 0.8918
390 6JO 0.8918
391 WDW 0.8917
392 3L1 0.8917
393 DQH 0.8916
394 0K7 0.8915
395 CX4 0.8915
396 VUP 0.8914
397 V2Z 0.8913
398 6C8 0.8913
399 ESR 0.8913
400 JNW 0.8912
401 M83 0.8912
402 LTN 0.8911
403 TLF 0.8909
404 CJZ 0.8908
405 ESZ 0.8907
406 DH2 0.8906
407 6J3 0.8905
408 EES 0.8904
409 HBO 0.8903
410 68A 0.8903
411 QME 0.8901
412 1KN 0.8898
413 IMH 0.8898
414 PQM 0.8897
415 NIR 0.8897
416 5E2 0.8896
417 2GE 0.8896
418 BHS 0.8895
419 38E 0.8895
420 DHT 0.8894
421 U19 0.8894
422 MR5 0.8894
423 4Z1 0.8894
424 BGC OXZ 0.8894
425 AV4 0.8893
426 UN3 0.8892
427 5P7 0.8891
428 GNG 0.8889
429 MR6 0.8889
430 54X 0.8888
431 6ZW 0.8888
432 O53 0.8886
433 2FA 0.8886
434 AH6 0.8885
435 697 0.8883
436 AXX 0.8881
437 BGC BGC 0.8879
438 AH9 0.8878
439 4FC 0.8876
440 TES 0.8874
441 397 0.8874
442 3VX 0.8873
443 IMK 0.8873
444 0RY 0.8872
445 AV6 0.8870
446 5F1 0.8870
447 FC3 0.8870
448 RFZ 0.8867
449 SSY 0.8865
450 0X2 0.8865
451 ELH 0.8864
452 RPP 0.8862
453 M5H 0.8862
454 OUA 0.8861
455 ID8 0.8860
456 3IL 0.8860
457 5E4 0.8860
458 68B 0.8856
459 TJM 0.8855
460 WUB 0.8855
461 92O 0.8854
462 OLU 0.8853
463 AOX 0.8851
464 BMZ 0.8851
465 WS7 0.8851
466 CLI 0.8851
467 BUX 0.8851
468 5H6 0.8850
469 D25 0.8848
470 WOE 0.8847
471 TH1 0.8845
472 MMJ 0.8843
473 96R 0.8840
474 X11 0.8840
475 22T 0.8840
476 2J2 0.8840
477 WV7 0.8839
478 U12 0.8839
479 5DN 0.8837
480 BPU 0.8837
481 2UD 0.8836
482 BA5 0.8836
483 Q92 0.8835
484 Z21 0.8835
485 ADL 0.8834
486 SAK 0.8834
487 537 0.8833
488 6ZE 0.8832
489 THA 0.8832
490 5ID 0.8832
491 B4O 0.8831
492 HHS 0.8831
493 1R5 0.8831
494 AZN 0.8830
495 CR4 0.8829
496 WST 0.8828
497 IK1 0.8826
498 FZM 0.8825
499 43S 0.8825
500 BVS 0.8824
501 BNY 0.8824
502 NPZ 0.8824
503 88X 0.8823
504 BZE 0.8823
505 MHD GAL 0.8822
506 LFQ 0.8822
507 6FG 0.8822
508 TVC 0.8819
509 5N5 0.8819
510 V1T 0.8818
511 BQ5 0.8817
512 NQ8 0.8816
513 CUQ 0.8816
514 5DE 0.8815
515 BPY 0.8815
516 K7H 0.8815
517 MYC 0.8815
518 ZEZ 0.8815
519 0H5 0.8814
520 5TO 0.8814
521 DTR 0.8813
522 HNT 0.8813
523 GWD 0.8813
524 K80 0.8813
525 56N 0.8812
526 A4D 0.8812
527 G30 0.8810
528 E3X 0.8809
529 AMR 0.8809
530 ESL 0.8808
531 3RP 0.8808
532 DBS 0.8808
533 1UR 0.8807
534 CFK 0.8806
535 5BX 0.8805
536 GLC GAL 0.8804
537 KYN 0.8803
538 205 0.8803
539 3C5 0.8803
540 9BF 0.8800
541 120 0.8799
542 JP2 0.8797
543 122 0.8797
544 QIV 0.8795
545 BZQ 0.8794
546 U7E 0.8794
547 3J8 0.8793
548 E1K 0.8793
549 6C5 0.8792
550 PQS 0.8790
551 7G0 0.8790
552 BGC GAL 0.8790
553 M78 0.8789
554 XM5 0.8789
555 NOM 0.8788
556 MQR 0.8786
557 124 0.8786
558 VC3 0.8786
559 AD3 0.8786
560 B2E 0.8783
561 3Q0 0.8783
562 GZV 0.8783
563 W29 0.8782
564 MNX 0.8782
565 HWB 0.8782
566 2AN 0.8782
567 UKV 0.8781
568 FLF 0.8781
569 ECS 0.8780
570 KLV 0.8776
571 GNY 0.8776
572 ASD 0.8775
573 9RM 0.8775
574 AOM 0.8775
575 6SD 0.8775
576 FHV 0.8774
577 PZX 0.8772
578 A5Q 0.8772
579 UN4 0.8771
580 4I8 0.8771
581 ZHA 0.8770
582 TIA 0.8770
583 1QV 0.8767
584 6C4 0.8764
585 PJK 0.8763
586 QNM 0.8762
587 KXN 0.8759
588 3QV 0.8759
589 FF2 0.8759
590 L07 0.8757
591 K44 0.8757
592 AOI 0.8757
593 OUG 0.8755
594 6C9 0.8753
595 EMO 0.8751
596 4HB 0.8747
597 5GV 0.8747
598 J8D 0.8746
599 TRU 0.8746
600 AJ1 0.8745
601 ZJB 0.8744
602 ANF 0.8741
603 BBP 0.8741
604 0ON 0.8739
605 2UZ 0.8738
606 P93 0.8737
607 E6Q 0.8737
608 GCS GCS 0.8736
609 CK2 0.8736
610 PRH 0.8736
611 MG7 0.8736
612 Y3L 0.8735
613 1EB 0.8735
614 AQN 0.8734
615 8NX 0.8733
616 7O4 0.8732
617 OSY 0.8732
618 ALH 0.8731
619 5WN 0.8729
620 IFM BGC 0.8728
621 WSD 0.8727
622 78U 0.8726
623 0DJ 0.8724
624 JVD 0.8724
625 L03 0.8723
626 Z15 0.8723
627 5UD 0.8723
628 IRH 0.8721
629 T21 0.8720
630 9AP 0.8720
631 DBQ 0.8718
632 OAI 0.8718
633 5SJ 0.8716
634 LOT 0.8716
635 Q9T 0.8715
636 IQ5 0.8715
637 AQ1 0.8713
638 SNV 0.8713
639 Q8G 0.8712
640 KN1 0.8712
641 A7Q 0.8711
642 AJG 0.8710
643 0MB 0.8709
644 6JP 0.8708
645 F2W 0.8708
646 AZC 0.8704
647 J38 0.8704
648 YEX 0.8703
649 UN9 0.8701
650 531 0.8701
651 KYA 0.8701
652 ISX 0.8699
653 GVI 0.8698
654 AA 0.8696
655 1WO 0.8695
656 XI7 0.8695
657 XYP XYS 0.8695
658 FNT 0.8694
659 DNA 0.8690
660 2UV 0.8689
661 0SX 0.8689
662 3VS 0.8687
663 8DA 0.8686
664 3UG 0.8686
665 VM7 0.8686
666 30G 0.8685
667 6B5 0.8683
668 145 0.8682
669 AN3 0.8682
670 2LW 0.8682
671 HPR 0.8682
672 XFE 0.8681
673 K8W 0.8680
674 FM2 0.8679
675 SA0 0.8676
676 NOS 0.8675
677 XDK 0.8675
678 SWX 0.8675
679 HUL 0.8673
680 SU9 0.8673
681 A51 0.8671
682 UL1 0.8671
683 4E2 0.8671
684 245 0.8667
685 69W 0.8667
686 108 0.8665
687 MKN 0.8665
688 Z57 0.8663
689 43U 0.8663
690 6FX 0.8661
691 DPT 0.8661
692 0NX 0.8660
693 79W 0.8660
694 G6P 0.8660
695 041 0.8658
696 X0T 0.8657
697 DX8 0.8657
698 XTS 0.8657
699 TID 0.8656
700 5WM 0.8655
701 N91 0.8655
702 IRG 0.8655
703 6WU 0.8654
704 E3U 0.8653
705 C53 0.8653
706 GB4 0.8651
707 MD6 0.8650
708 X6W 0.8650
709 VGS 0.8649
710 IIH 0.8647
711 LDR 0.8647
712 ZYQ 0.8647
713 B61 0.8646
714 DCF 0.8643
715 LLT 0.8643
716 9KZ 0.8641
717 H70 0.8640
718 SQP 0.8639
719 8MO 0.8637
720 PLP 0.8636
721 ACE TRP 0.8631
722 ABL 0.8630
723 2PW 0.8629
724 BXS 0.8628
725 TIY 0.8628
726 QUG 0.8628
727 GO2 0.8627
728 X0U 0.8624
729 NXB 0.8624
730 BHF 0.8621
731 IS2 0.8621
732 NTF 0.8619
733 4GP 0.8618
734 PH2 0.8618
735 9MR 0.8618
736 113 0.8615
737 MNY 0.8614
738 72D 0.8614
739 XZ1 0.8614
740 CFE 0.8612
741 2AX 0.8608
742 RCV 0.8607
743 1TJ 0.8606
744 7FU 0.8606
745 A 0.8606
746 NFL 0.8606
747 TVZ 0.8605
748 SNB 0.8605
749 GJG 0.8604
750 1DA 0.8602
751 ZIP 0.8602
752 GAT 0.8601
753 OSB 0.8601
754 ASE 0.8599
755 58N 0.8598
756 C0V 0.8598
757 TBN 0.8596
758 62D 0.8596
759 761 0.8594
760 21E 0.8594
761 ESM 0.8593
762 FMC 0.8592
763 DT7 0.8590
764 AX1 0.8590
765 CL9 0.8590
766 TR4 0.8590
767 52F 0.8589
768 FMB 0.8588
769 34L 0.8588
770 R4E 0.8586
771 B56 0.8585
772 6NZ 0.8584
773 U98 0.8584
774 Q17 0.8583
775 5CQ 0.8582
776 2FX 0.8581
777 GRI 0.8580
778 NOY BGC 0.8580
779 L15 0.8579
780 RDT 0.8576
781 2B4 0.8576
782 BQ2 0.8575
783 JR2 0.8575
784 SOV 0.8573
785 JG8 0.8572
786 ENO 0.8571
787 TYP 0.8570
788 4YE 0.8569
789 CK1 0.8568
790 S62 0.8568
791 MYU 0.8568
792 CKA 0.8566
793 8NB 0.8563
794 FER 0.8558
795 6KT 0.8555
796 2LX 0.8555
797 549 0.8551
798 25O 0.8550
799 4E3 0.8550
800 I0G 0.8549
801 4BL 0.8546
802 H5B 0.8546
803 3WF 0.8545
804 DMB 0.8544
805 3ZB 0.8539
806 LC1 0.8532
807 31F 0.8528
808 F16 0.8527
809 HKK 0.8526
810 B98 0.8525
811 2JK 0.8523
812 BIH 0.8521
813 Q7U 0.8520
814 BMA BMA 0.8519
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
APoc FAQ
Feedback