Receptor
PDB id Resolution Class Description Source Keywords
4L10 1.7 Å EC: 2.4.2.30 TANKYRASE 2 IN COMPLEX WITH 4'-METHOXY 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
A63 B:1204;
A:1204;
 Valid;
Valid;
 none;
none;
 submit data
252.265 C16 H12 O3 COc1c...
ZN B:1203;
A:1203;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
SO4 A:1201;
B:1202;
A:1202;
B:1201;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
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: A63; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 A63 1 1
2 1UT 0.666667 0.641026
3 A73 0.66 0.741935
4 1V1 0.66 0.741935
5 20D 0.66 0.741935
6 F08 0.654545 0.9
7 A64 0.653846 0.827586
8 1UZ 0.622642 0.766667
9 1UR 0.611111 0.774194
10 1UW 0.583333 0.764706
11 1V8 0.52459 0.648649
12 F70 0.523077 0.657895
13 1V4 0.416667 0.71875
Similar Ligands (3D)
Ligand no: 1; Ligand: A63; Similar ligands found: 592
No: Ligand Similarity coefficient
1 08C 1.0000
2 27F 0.9965
3 91F 0.9944
4 RGK 0.9869
5 NKI 0.9869
6 DFL 0.9817
7 F36 0.9808
8 5WW 0.9799
9 97K 0.9797
10 25F 0.9771
11 1V0 0.9764
12 SZ5 0.9755
13 3F4 0.9723
14 O53 0.9719
15 M3W 0.9708
16 WLH 0.9682
17 CDJ 0.9669
18 VT3 0.9649
19 H2W 0.9629
20 W8L 0.9619
21 338 0.9610
22 29F 0.9600
23 E9L 0.9578
24 W2E 0.9568
25 31F 0.9560
26 IDZ 0.9530
27 6BK 0.9522
28 06R 0.9510
29 AGI 0.9486
30 GN5 0.9481
31 2ZI 0.9475
32 U4J 0.9455
33 XAV 0.9445
34 LI7 0.9441
35 NAR 0.9419
36 DFV 0.9417
37 HRD 0.9397
38 IY5 0.9395
39 O9T 0.9388
40 0NJ 0.9383
41 F40 0.9375
42 SGW 0.9369
43 1HP 0.9360
44 OSY 0.9358
45 S98 0.9357
46 ZEA 0.9347
47 6JP 0.9345
48 F18 0.9345
49 U13 0.9341
50 LU2 0.9339
51 BJ4 0.9328
52 J8D 0.9325
53 NU3 0.9310
54 2WU 0.9309
55 6JM 0.9307
56 9CE 0.9305
57 H75 0.9302
58 1V3 0.9302
59 YE7 0.9301
60 4ZF 0.9301
61 272 0.9296
62 5NN 0.9290
63 7FC 0.9286
64 CWE 0.9282
65 L2K 0.9281
66 KMP 0.9277
67 UAY 0.9275
68 3WK 0.9274
69 WG8 0.9269
70 TVZ 0.9268
71 8M5 0.9268
72 G2V 0.9266
73 SJR 0.9266
74 3GX 0.9264
75 P4L 0.9263
76 MR4 0.9263
77 GEN 0.9262
78 5YA 0.9255
79 7L4 0.9249
80 3G5 0.9245
81 9C8 0.9238
82 CR4 0.9234
83 5TU 0.9228
84 Q2S 0.9228
85 Q0K 0.9226
86 MRE 0.9225
87 X2L 0.9223
88 O9Z 0.9220
89 BMZ 0.9218
90 S1C 0.9216
91 A9B 0.9210
92 ZTW 0.9210
93 3JC 0.9208
94 QUE 0.9206
95 7G2 0.9205
96 HH6 0.9202
97 DDC 0.9201
98 124 0.9201
99 697 0.9197
100 802 0.9197
101 122 0.9197
102 120 0.9193
103 18E 0.9193
104 5ZM 0.9192
105 SAK 0.9192
106 6T5 0.9192
107 6DQ 0.9191
108 72H 0.9189
109 FSE 0.9188
110 801 0.9186
111 F38 0.9186
112 JKN 0.9186
113 196 0.9182
114 ZAR 0.9169
115 JFS 0.9166
116 DXK 0.9165
117 AO 0.9164
118 1FL 0.9161
119 57D 0.9158
120 FHI 0.9156
121 B7H 0.9155
122 1R5 0.9150
123 BBP 0.9150
124 D64 0.9149
125 797 0.9148
126 9JT 0.9146
127 MHB 0.9143
128 JNW 0.9143
129 BUX 0.9136
130 3TI 0.9136
131 397 0.9134
132 AVX 0.9133
133 XYP XYP 0.9133
134 M16 0.9130
135 2UV 0.9130
136 7LU 0.9128
137 907 0.9125
138 CUE 0.9125
139 135 0.9122
140 3WL 0.9122
141 NPZ 0.9119
142 7FZ 0.9119
143 VBC 0.9118
144 UN9 0.9115
145 TVC 0.9113
146 Q92 0.9112
147 28A 0.9110
148 A9E 0.9110
149 JSX 0.9110
150 S1D 0.9107
151 57U 0.9106
152 LZ7 0.9102
153 ECZ 0.9100
154 MR5 0.9100
155 C4E 0.9098
156 MBP 0.9095
157 LUM 0.9093
158 WF4 0.9092
159 DX8 0.9091
160 NVS 0.9090
161 47V 0.9087
162 TH1 0.9086
163 ZRL 0.9083
164 121 0.9083
165 PIQ 0.9081
166 MBT 0.9081
167 1Q1 0.9079
168 R4E 0.9077
169 AUY 0.9073
170 WDW 0.9072
171 MRI 0.9071
172 LVY 0.9069
173 334 0.9064
174 HCC 0.9064
175 IMK 0.9063
176 S60 0.9063
177 5ER 0.9062
178 U14 0.9061
179 68C 0.9055
180 041 0.9053
181 T5J 0.9053
182 UN4 0.9052
183 3D8 0.9051
184 TFX 0.9051
185 ZRK 0.9048
186 6XC 0.9046
187 3CA 0.9046
188 LR2 0.9046
189 SDN 0.9044
190 JCZ 0.9043
191 2QU 0.9042
192 H32 0.9041
193 AV6 0.9040
194 IQW 0.9040
195 J2W 0.9037
196 SNP 0.9033
197 FNT 0.9030
198 QC1 0.9029
199 BGU 0.9025
200 P7V 0.9022
201 CMG 0.9017
202 4NR 0.9014
203 2D2 0.9013
204 IKY 0.9012
205 JF8 0.9011
206 1Q4 0.9010
207 2Q0 0.9010
208 62D 0.9007
209 6QT 0.9006
210 P4T 0.9005
211 EMU 0.9004
212 4AU 0.9002
213 3Q0 0.9000
214 NIF 0.9000
215 P83 0.8998
216 C0V 0.8995
217 YE6 0.8993
218 T21 0.8990
219 HUL 0.8989
220 L43 0.8989
221 IPJ 0.8989
222 5XM 0.8988
223 2JX 0.8983
224 A5H 0.8982
225 4YE 0.8982
226 5OR 0.8982
227 0K7 0.8981
228 O9Q 0.8980
229 2GQ 0.8979
230 DQH 0.8978
231 0UL 0.8978
232 B4L 0.8978
233 JRO 0.8977
234 DH2 0.8971
235 6TJ 0.8970
236 MYC 0.8970
237 5E1 0.8970
238 PJK 0.8969
239 FBC 0.8967
240 BRY 0.8967
241 NE2 0.8966
242 IDD 0.8965
243 OLU 0.8963
244 MXM 0.8961
245 4P9 0.8961
246 NRA 0.8960
247 0XR 0.8958
248 RF2 0.8955
249 XYS XYS 0.8954
250 6B5 0.8952
251 244 0.8952
252 4UM 0.8951
253 6QX 0.8951
254 OUA 0.8950
255 40N 0.8949
256 2J1 0.8948
257 S0D 0.8948
258 STL 0.8947
259 5VU 0.8947
260 4KN 0.8941
261 EQU 0.8941
262 0DJ 0.8939
263 A05 0.8938
264 7EH 0.8936
265 AX1 0.8935
266 HRM 0.8935
267 1XS 0.8934
268 4FC 0.8934
269 J45 0.8933
270 1DR 0.8931
271 0SY 0.8931
272 H35 0.8929
273 5E5 0.8928
274 53X 0.8926
275 3WO 0.8926
276 3WN 0.8926
277 NYJ 0.8924
278 EEY 0.8923
279 ERZ 0.8922
280 123 0.8921
281 5B2 0.8920
282 1SF 0.8919
283 PNW 0.8919
284 LJ1 0.8918
285 K7H 0.8918
286 245 0.8918
287 LC1 0.8916
288 38E 0.8914
289 GVI 0.8914
290 4L2 0.8914
291 0DF 0.8911
292 XEV 0.8911
293 H0V 0.8909
294 1FE 0.8909
295 EES 0.8909
296 3AK 0.8908
297 H4B 0.8908
298 IXM 0.8908
299 4GU 0.8907
300 MR6 0.8907
301 4FF 0.8907
302 RNP 0.8905
303 F1T 0.8903
304 WA2 0.8901
305 205 0.8901
306 6H2 0.8899
307 A6W 0.8899
308 GA6 0.8898
309 CX6 0.8897
310 5WT 0.8896
311 QS4 0.8892
312 78Y 0.8892
313 97Z 0.8888
314 4K2 0.8886
315 5DE 0.8886
316 MI2 0.8885
317 1VG 0.8885
318 AOY 0.8883
319 OUG 0.8882
320 9B2 0.8881
321 BU7 0.8881
322 JL7 0.8880
323 PRL 0.8880
324 ITE 0.8878
325 32F 0.8878
326 2QV 0.8875
327 5P3 0.8874
328 KWV 0.8872
329 Q4G 0.8866
330 2P3 0.8865
331 A26 0.8865
332 RKY 0.8864
333 BVS 0.8864
334 5EZ 0.8862
335 01I 0.8861
336 5Z5 0.8861
337 LIG 0.8860
338 E92 0.8860
339 HWB 0.8856
340 QUG 0.8856
341 7G0 0.8856
342 2JP 0.8855
343 5P7 0.8855
344 MYU 0.8853
345 5V7 0.8853
346 A45 0.8851
347 II4 0.8851
348 27M 0.8850
349 NBZ GLA 0.8849
350 XDL XYP 0.8847
351 72G 0.8846
352 833 0.8845
353 7ZO 0.8844
354 WST 0.8843
355 9OF 0.8843
356 XYS XYP 0.8843
357 DX2 0.8842
358 XZ1 0.8842
359 SLX 0.8842
360 SNJ 0.8841
361 DMB 0.8840
362 83D 0.8839
363 KLV 0.8838
364 9AW 0.8837
365 AV7 0.8837
366 IIH 0.8835
367 EST 0.8834
368 3N0 0.8833
369 Y27 0.8832
370 8E6 0.8832
371 4YF 0.8832
372 8E3 0.8832
373 4DE 0.8831
374 U12 0.8831
375 6FX 0.8829
376 4CN 0.8826
377 ESJ 0.8825
378 Q5M 0.8824
379 LMZ 0.8824
380 EY2 0.8822
381 JCQ 0.8820
382 FYR 0.8816
383 Z3R 0.8813
384 KXN 0.8811
385 M3F 0.8807
386 F33 0.8807
387 QDR 0.8807
388 ZSP 0.8807
389 EBB 0.8806
390 I0G 0.8805
391 4QX 0.8803
392 DX7 0.8803
393 0H5 0.8802
394 EDZ 0.8801
395 FZB 0.8796
396 CT7 0.8796
397 4HG 0.8795
398 TRP 0.8795
399 Q7U 0.8794
400 EAT 0.8793
401 ICD 0.8789
402 517 0.8789
403 KU1 0.8788
404 AJG 0.8787
405 ZIP 0.8787
406 NW1 0.8786
407 2PK 0.8784
408 WCU 0.8783
409 X8I 0.8782
410 BGK 0.8781
411 AD6 0.8776
412 0MB 0.8775
413 3SU 0.8775
414 DEH 0.8773
415 LFN 0.8772
416 CZ0 0.8772
417 NTI 0.8769
418 FHV 0.8768
419 E98 0.8768
420 A8D 0.8767
421 HPX 0.8767
422 8G6 0.8766
423 HMO 0.8765
424 BER 0.8765
425 AQN 0.8764
426 8HH 0.8763
427 1EL 0.8762
428 0OK 0.8761
429 LJ2 0.8759
430 LL1 0.8759
431 IQZ 0.8759
432 BXZ 0.8757
433 MJW 0.8756
434 BBY 0.8756
435 FY8 0.8754
436 2PV 0.8753
437 8EC 0.8753
438 M83 0.8748
439 IK1 0.8747
440 JMM 0.8747
441 BIO 0.8746
442 AP6 0.8744
443 IRH 0.8743
444 FCW 0.8743
445 55H 0.8742
446 MT6 0.8741
447 NAL 0.8738
448 X8E 0.8734
449 M5A 0.8734
450 J3Z 0.8733
451 YZ9 0.8732
452 7EL 0.8731
453 108 0.8731
454 INI 0.8729
455 OAQ 0.8726
456 6ZE 0.8724
457 XYP XDN 0.8724
458 TCR 0.8722
459 LWS 0.8720
460 KHP 0.8719
461 2OX 0.8716
462 X2M 0.8716
463 6WU 0.8715
464 5S9 0.8714
465 UN3 0.8714
466 PCQ 0.8713
467 6VW 0.8713
468 AZB 0.8712
469 OQR 0.8709
470 GOE 0.8709
471 B21 0.8709
472 L03 0.8706
473 KWB 0.8706
474 BXS 0.8704
475 49P 0.8704
476 4G2 0.8704
477 J8G 0.8704
478 ECS 0.8703
479 IW3 0.8703
480 20N 0.8701
481 28B 0.8701
482 AXX 0.8701
483 IQQ 0.8698
484 UL1 0.8695
485 3K1 0.8695
486 22M 0.8695
487 R3P 0.8694
488 0FZ 0.8694
489 WA1 0.8689
490 XIL 0.8689
491 136 0.8688
492 IEE 0.8685
493 ESR 0.8684
494 STR 0.8683
495 3Q1 0.8683
496 1AJ 0.8682
497 1Q2 0.8680
498 CG 0.8678
499 5TO 0.8676
500 YEX 0.8676
501 L5D 0.8676
502 39Z 0.8674
503 5H6 0.8672
504 6C8 0.8671
505 SSY 0.8669
506 CHQ 0.8667
507 IW5 0.8665
508 P9I 0.8662
509 BX4 0.8661
510 5F8 0.8660
511 39R 0.8659
512 DL6 0.8656
513 1SX 0.8654
514 RCV 0.8653
515 2PW 0.8652
516 90G 0.8650
517 5DN 0.8650
518 FSU 0.8649
519 ASE 0.8649
520 5WK 0.8649
521 6FG 0.8644
522 D25 0.8642
523 CC6 0.8641
524 17M 0.8640
525 9BF 0.8640
526 58N 0.8639
527 DN8 0.8636
528 6XR 0.8636
529 5BX 0.8632
530 5CJ 0.8630
531 Y3L 0.8628
532 OT4 0.8626
533 6JO 0.8624
534 ESL 0.8623
535 QME 0.8623
536 2UD 0.8622
537 IW4 0.8622
538 KN1 0.8621
539 CLI 0.8620
540 IOP 0.8620
541 SNV 0.8617
542 S45 0.8617
543 TID 0.8616
544 P34 0.8615
545 ZYC 0.8615
546 LWA 0.8614
547 4F8 0.8613
548 HWH 0.8610
549 SU9 0.8607
550 6MW 0.8607
551 79X 0.8606
552 5CK 0.8605
553 Z94 0.8601
554 5FL 0.8601
555 LJ5 0.8600
556 5XL 0.8600
557 CJN 0.8599
558 KWD 0.8598
559 BVB 0.8598
560 D26 0.8598
561 1YL 0.8598
562 5TZ 0.8597
563 E8Z 0.8597
564 1EB 0.8594
565 RSV 0.8590
566 JVD 0.8590
567 NXB 0.8589
568 GB4 0.8589
569 XDN XYP 0.8587
570 5M2 0.8585
571 AUV 0.8581
572 GAL PHB 0.8580
573 3MI 0.8579
574 E3U 0.8577
575 GJG 0.8574
576 609 0.8568
577 55U 0.8568
578 RHN 0.8564
579 ZHA 0.8564
580 0LO 0.8558
581 0S0 0.8555
582 KLS 0.8550
583 KF5 0.8544
584 363 0.8541
585 6C5 0.8532
586 5CQ 0.8531
587 J1K 0.8529
588 8GP 0.8520
589 D59 0.8519
590 LJ3 0.8514
591 ZZA 0.8513
592 XYS AZI XYS 0.8512
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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