Receptor
PDB id Resolution Class Description Source Keywords
5nsx 1.8 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF TNKS2 IN COMPLEX WITH 2-(1H-INDAZOL-5-Y DIHYDROQUINAZOLIN-4-ONE HOMO SAPIENS TANKYRASE INHIBITOR ARTD6 PARP5B TRANSFERASE
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;
D:1201;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZN A:1203;
B:1202;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
97K A:1204;
B:1203;
 Valid;
Valid;
 none;
none;
 ic50 = 400 nM
262.266 C15 H10 N4 O c1ccc...
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: 97K; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 97K 1 1
2 RGK 0.537313 0.772727
3 9AN 0.528571 0.744681
4 97H 0.514286 0.795455
5 F40 0.5 0.785714
6 25F 0.5 0.717391
7 06R 0.5 0.702128
8 91F 0.492754 0.6875
9 SZ5 0.492754 0.767442
10 3F4 0.492754 0.723404
11 29F 0.478873 0.702128
12 08C 0.478873 0.673469
13 27F 0.472222 0.767442
14 9C8 0.466667 0.611111
15 9A8 0.466667 0.68
16 F36 0.465753 0.717391
17 9AW 0.453333 0.809524
18 9AQ 0.447368 0.634615
19 W2E 0.441558 0.66
20 9B2 0.435897 0.6
21 9CE 0.428571 0.744681
22 F37 0.425 0.649123
23 32F 0.419753 0.614035
24 KC8 0.414634 0.616667
25 16I 0.406977 0.770833
26 JQF 0.4 0.660377
Similar Ligands (3D)
Ligand no: 1; Ligand: 97K; Similar ligands found: 536
No: Ligand Similarity coefficient
1 1V8 1.0000
2 A63 0.9797
3 1V0 0.9709
4 1UR 0.9698
5 1UT 0.9686
6 DFL 0.9658
7 1UZ 0.9651
8 A64 0.9630
9 6BK 0.9612
10 20D 0.9611
11 IDZ 0.9593
12 1V1 0.9560
13 O53 0.9538
14 5WW 0.9525
15 VT3 0.9523
16 A73 0.9523
17 E9L 0.9511
18 IY5 0.9479
19 338 0.9476
20 M3W 0.9472
21 NKI 0.9434
22 W8L 0.9432
23 DFV 0.9430
24 2ZI 0.9427
25 H2W 0.9421
26 LU2 0.9415
27 C0V 0.9414
28 XAV 0.9404
29 0NJ 0.9400
30 CDJ 0.9395
31 7LU 0.9393
32 TVZ 0.9384
33 Q2S 0.9383
34 G2V 0.9368
35 1HP 0.9367
36 AGI 0.9367
37 124 0.9360
38 MR4 0.9358
39 3Q0 0.9348
40 Q92 0.9342
41 TVC 0.9339
42 U4J 0.9337
43 J8D 0.9336
44 802 0.9335
45 BMZ 0.9330
46 CR4 0.9322
47 AO 0.9314
48 NU3 0.9308
49 801 0.9307
50 8M5 0.9303
51 T21 0.9301
52 6QT 0.9299
53 041 0.9298
54 L2K 0.9295
55 120 0.9292
56 AX1 0.9289
57 6FX 0.9275
58 WLH 0.9275
59 O9T 0.9274
60 O9Z 0.9274
61 F08 0.9273
62 A45 0.9269
63 31F 0.9267
64 H32 0.9265
65 1R5 0.9264
66 6JM 0.9262
67 LZ7 0.9255
68 121 0.9255
69 MR5 0.9254
70 CWE 0.9253
71 6JP 0.9251
72 QUE 0.9245
73 GEN 0.9240
74 122 0.9238
75 3TI 0.9236
76 697 0.9235
77 MYC 0.9231
78 UAY 0.9230
79 BJ4 0.9227
80 X8I 0.9222
81 B7H 0.9221
82 NZ4 0.9217
83 272 0.9213
84 1V4 0.9210
85 NAR 0.9208
86 797 0.9205
87 GN5 0.9201
88 196 0.9195
89 3WL 0.9192
90 HCC 0.9192
91 5TU 0.9188
92 0DJ 0.9187
93 Q7U 0.9187
94 MT6 0.9185
95 A05 0.9185
96 5ER 0.9182
97 IRH 0.9176
98 SGW 0.9174
99 MHB 0.9173
100 BMC 0.9172
101 4ZF 0.9172
102 LI7 0.9169
103 7FZ 0.9164
104 907 0.9161
105 O9Q 0.9159
106 IMK 0.9156
107 WG8 0.9155
108 BXS 0.9153
109 68C 0.9153
110 U14 0.9146
111 18E 0.9145
112 7G2 0.9141
113 U13 0.9141
114 HRD 0.9141
115 MRI 0.9140
116 F18 0.9138
117 88X 0.9138
118 Z3R 0.9135
119 F1T 0.9134
120 OSY 0.9129
121 MBT 0.9129
122 5NN 0.9128
123 205 0.9127
124 XYP XYP 0.9124
125 334 0.9124
126 7FC 0.9124
127 BBP 0.9124
128 6H2 0.9123
129 UN9 0.9123
130 SNJ 0.9117
131 JKN 0.9112
132 OUG 0.9110
133 X2L 0.9106
134 FNT 0.9105
135 LJ2 0.9103
136 5ZM 0.9102
137 CMG 0.9102
138 KMP 0.9098
139 4YE 0.9095
140 T5J 0.9092
141 397 0.9090
142 HUL 0.9089
143 5XM 0.9089
144 BUX 0.9086
145 EMU 0.9086
146 TH1 0.9085
147 NPZ 0.9084
148 M16 0.9081
149 FSE 0.9080
150 ECZ 0.9080
151 135 0.9080
152 LJ5 0.9076
153 6DQ 0.9075
154 123 0.9073
155 WDW 0.9073
156 IPJ 0.9073
157 47V 0.9072
158 D64 0.9067
159 39R 0.9067
160 OUA 0.9065
161 A9E 0.9065
162 3GX 0.9061
163 EEY 0.9060
164 S1C 0.9060
165 H35 0.9057
166 LJ1 0.9056
167 57D 0.9054
168 7L4 0.9051
169 2WU 0.9049
170 1UW 0.9048
171 3JC 0.9047
172 MYU 0.9045
173 PNW 0.9045
174 U12 0.9044
175 6B5 0.9042
176 PIQ 0.9041
177 2JP 0.9040
178 2OX 0.9038
179 4YF 0.9036
180 VBC 0.9034
181 DDC 0.9034
182 JSX 0.9033
183 S1D 0.9032
184 RF2 0.9032
185 40N 0.9032
186 5VU 0.9031
187 E98 0.9031
188 MR6 0.9029
189 3G5 0.9029
190 XYS XYS 0.9029
191 4UM 0.9027
192 DH2 0.9024
193 4P9 0.9023
194 ZAR 0.9022
195 E92 0.9021
196 KHP 0.9020
197 0MB 0.9020
198 2QU 0.9020
199 HH6 0.9019
200 AV6 0.9017
201 0DF 0.9015
202 DMB 0.9014
203 LIG 0.9013
204 CUE 0.9011
205 DQH 0.9008
206 JF8 0.9007
207 1V3 0.9005
208 LUM 0.9005
209 5E1 0.9005
210 TFX 0.9004
211 AVX 0.9002
212 BRY 0.9000
213 XEV 0.8998
214 GJW 0.8995
215 4K2 0.8993
216 ZRL 0.8992
217 245 0.8989
218 C4E 0.8985
219 S98 0.8985
220 JFS 0.8983
221 H0V 0.8983
222 WF4 0.8982
223 A26 0.8982
224 STL 0.8980
225 AV7 0.8980
226 6JO 0.8979
227 23M 0.8978
228 2QV 0.8977
229 FBC 0.8976
230 3WO 0.8975
231 3WN 0.8975
232 4KN 0.8973
233 1EL 0.8973
234 OLU 0.8971
235 21E 0.8970
236 IIH 0.8969
237 XZ1 0.8968
238 6TJ 0.8967
239 EES 0.8967
240 5YA 0.8961
241 A8D 0.8961
242 QS4 0.8959
243 JRO 0.8956
244 55H 0.8954
245 7EH 0.8953
246 Q0K 0.8951
247 72H 0.8950
248 9JT 0.8948
249 QC1 0.8948
250 MRE 0.8946
251 3WK 0.8940
252 1XS 0.8935
253 833 0.8934
254 YE7 0.8931
255 BZC 0.8930
256 P4L 0.8930
257 J45 0.8929
258 MXM 0.8929
259 IDD 0.8928
260 8E3 0.8928
261 JL7 0.8926
262 ZRK 0.8925
263 Q11 0.8922
264 A9B 0.8922
265 SAK 0.8920
266 7ZO 0.8920
267 8E6 0.8919
268 LC1 0.8919
269 8EC 0.8918
270 4GU 0.8918
271 SDN 0.8916
272 5Z5 0.8916
273 UN4 0.8914
274 HWB 0.8912
275 0UL 0.8912
276 XYS AZI XYS 0.8911
277 EBB 0.8910
278 4CN 0.8910
279 NRA 0.8910
280 28A 0.8909
281 83D 0.8909
282 PNJ 0.8908
283 LR2 0.8903
284 PCQ 0.8902
285 NE2 0.8901
286 JMM 0.8901
287 XYP XIM 0.8901
288 DX8 0.8901
289 3K1 0.8898
290 4AU 0.8895
291 38E 0.8895
292 IW4 0.8894
293 XIL 0.8893
294 NVS 0.8892
295 IXM 0.8892
296 2UV 0.8892
297 4HG 0.8892
298 517 0.8891
299 ICD 0.8891
300 HPX 0.8890
301 DXK 0.8889
302 BGK 0.8883
303 1Q4 0.8882
304 3XL 0.8881
305 0SY 0.8880
306 01I 0.8879
307 0RY 0.8875
308 KXN 0.8875
309 1Q1 0.8874
310 DEH 0.8873
311 IW6 0.8873
312 XYP XDN 0.8870
313 72G 0.8870
314 6F3 0.8869
315 PNG 0.8868
316 FTK 0.8868
317 2P3 0.8867
318 KU1 0.8866
319 J8G 0.8864
320 BVB 0.8860
321 80R 0.8858
322 244 0.8858
323 CZ0 0.8857
324 7G0 0.8856
325 3D8 0.8855
326 P4T 0.8854
327 53X 0.8851
328 3MI 0.8850
329 6T5 0.8850
330 FY8 0.8848
331 4FC 0.8847
332 IW5 0.8846
333 MBE 0.8846
334 IW3 0.8845
335 U55 0.8845
336 XDL XYP 0.8842
337 5EZ 0.8837
338 6MY 0.8836
339 BDE 0.8832
340 NXY 0.8832
341 KWV 0.8831
342 0FZ 0.8830
343 NIF 0.8829
344 BO1 0.8826
345 PRL 0.8826
346 AOY 0.8826
347 E8Z 0.8824
348 0H5 0.8823
349 L43 0.8822
350 NAB 0.8820
351 73E 0.8820
352 MHD GAL 0.8819
353 0K7 0.8816
354 DZ1 0.8815
355 QUG 0.8815
356 CC6 0.8814
357 KOT 0.8813
358 OT4 0.8812
359 FHI 0.8812
360 N5B 0.8811
361 Y27 0.8809
362 ZEA 0.8809
363 3Q1 0.8809
364 5DN 0.8809
365 E6Q 0.8808
366 2Q0 0.8808
367 ESJ 0.8807
368 D59 0.8807
369 IEE 0.8807
370 SJR 0.8806
371 4DE 0.8803
372 PJK 0.8798
373 1AJ 0.8798
374 5DE 0.8798
375 JCQ 0.8798
376 JCZ 0.8797
377 DX7 0.8794
378 738 0.8794
379 MI2 0.8794
380 VGV 0.8793
381 LOX XYP 0.8791
382 6WU 0.8790
383 AQN 0.8790
384 5WK 0.8790
385 NBZ GLA 0.8790
386 D25 0.8789
387 FYR 0.8788
388 DN8 0.8788
389 22M 0.8787
390 1FL 0.8787
391 XDN XYP 0.8787
392 FHV 0.8784
393 5LP 0.8783
394 5R9 0.8781
395 F38 0.8781
396 EAT 0.8781
397 PIT 0.8781
398 CX6 0.8781
399 LVY 0.8778
400 Q5M 0.8778
401 JNW 0.8777
402 FCW 0.8777
403 3CA 0.8777
404 M08 0.8776
405 RNP 0.8776
406 5B2 0.8775
407 100 0.8774
408 JF5 0.8773
409 S16 0.8772
410 5P7 0.8772
411 E3U 0.8771
412 NW1 0.8769
413 QDR 0.8766
414 BER 0.8765
415 BU7 0.8764
416 1DR 0.8760
417 2D2 0.8760
418 A6W 0.8759
419 GA6 0.8758
420 4AJ 0.8753
421 LMZ 0.8752
422 5S9 0.8752
423 5E2 0.8750
424 FZB 0.8749
425 GAL PHB 0.8748
426 0OK 0.8747
427 BXZ 0.8745
428 D5F 0.8745
429 D26 0.8743
430 FX5 0.8741
431 5M2 0.8740
432 Q9T 0.8739
433 B4L 0.8738
434 E2N 0.8737
435 0HV 0.8737
436 WA1 0.8736
437 XYS XYP 0.8734
438 62D 0.8733
439 2JX 0.8730
440 LZ4 0.8729
441 S0D 0.8729
442 SQM 0.8729
443 BUN 0.8727
444 ARJ 0.8725
445 103 0.8724
446 3RL 0.8723
447 AJ4 0.8723
448 1VG 0.8723
449 YE6 0.8723
450 NYJ 0.8722
451 OSJ 0.8722
452 DTQ 0.8721
453 4ZW 0.8720
454 YEX 0.8719
455 F70 0.8718
456 TYP 0.8718
457 FLF 0.8717
458 SU9 0.8715
459 5E5 0.8715
460 3Q2 0.8711
461 F33 0.8708
462 JVD 0.8705
463 T34 0.8704
464 35K 0.8702
465 6X1 0.8702
466 57U 0.8699
467 IGP 0.8698
468 SSY 0.8696
469 F5N 0.8695
470 F13 0.8691
471 NOC 0.8690
472 BX4 0.8689
473 2PW 0.8689
474 5WT 0.8689
475 P34 0.8689
476 4FF 0.8688
477 5PK 0.8686
478 OAK 0.8685
479 BIT 0.8682
480 9EG 0.8680
481 ENY 0.8679
482 0NH 0.8679
483 GW9 0.8677
484 4VC 0.8676
485 6EN 0.8674
486 BSU 0.8668
487 KVD 0.8666
488 6VW 0.8665
489 WCU 0.8664
490 I0G 0.8664
491 GJG 0.8660
492 36K 0.8657
493 STR 0.8654
494 KLV 0.8654
495 IXG 0.8653
496 EST 0.8651
497 90G 0.8650
498 B21 0.8650
499 UMP 0.8649
500 34L 0.8648
501 KN1 0.8645
502 BGC BGC 0.8644
503 3SU 0.8643
504 HRM 0.8642
505 4F8 0.8642
506 WA2 0.8640
507 5KN 0.8637
508 5CJ 0.8630
509 9M9 0.8629
510 UL1 0.8629
511 AV4 0.8624
512 UN3 0.8620
513 R4E 0.8611
514 AJG 0.8609
515 69W 0.8609
516 EQU 0.8608
517 MJW 0.8604
518 M83 0.8602
519 79X 0.8602
520 39Z 0.8599
521 ZIP 0.8594
522 K7H 0.8594
523 JVB 0.8591
524 58N 0.8588
525 5CK 0.8587
526 GVI 0.8584
527 3WJ 0.8583
528 SLX 0.8580
529 X2M 0.8578
530 JP8 0.8569
531 TID 0.8562
532 K8W 0.8558
533 J3B 0.8547
534 ZW2 0.8543
535 NXB 0.8539
536 ESM 0.8528
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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