Receptor
PDB id Resolution Class Description Source Keywords
4L0B 1.8 Å EC: 2.4.2.30 TANKYRASE 2 IN COMPLEX WITH 4'-DIMETHYLAMINO 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;
B:1202;
A:1202;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
1UT B:1204;
A:1204;
 Valid;
Valid;
 none;
none;
 submit data
265.307 C17 H15 N O2 CN(C)...
ZN A:1201;
B:1201;
 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: 1UT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 1UT 1 1
2 A63 0.666667 0.641026
3 A64 0.641509 0.702703
4 1UZ 0.611111 0.615385
Similar Ligands (3D)
Ligand no: 1; Ligand: 1UT; Similar ligands found: 429
No: Ligand Similarity coefficient
1 1UR 0.9988
2 F36 0.9952
3 1V0 0.9938
4 08C 0.9880
5 F08 0.9829
6 W2E 0.9823
7 O53 0.9795
8 31F 0.9753
9 06R 0.9748
10 29F 0.9739
11 2ZI 0.9735
12 XAV 0.9708
13 27F 0.9690
14 91F 0.9688
15 97K 0.9686
16 IY5 0.9683
17 5WW 0.9641
18 GN5 0.9610
19 RGK 0.9602
20 1V1 0.9578
21 SZ5 0.9573
22 338 0.9567
23 A73 0.9554
24 1V8 0.9550
25 25F 0.9544
26 20D 0.9541
27 3F4 0.9534
28 NKI 0.9515
29 DFL 0.9494
30 E9L 0.9487
31 M3W 0.9482
32 CDJ 0.9453
33 9C8 0.9450
34 TVZ 0.9445
35 7FC 0.9443
36 H2W 0.9434
37 ECZ 0.9421
38 VT3 0.9408
39 W8L 0.9402
40 MRE 0.9393
41 WF4 0.9390
42 JKN 0.9388
43 3G5 0.9380
44 802 0.9364
45 124 0.9363
46 F33 0.9361
47 0NJ 0.9340
48 CR4 0.9335
49 1UW 0.9332
50 8M5 0.9329
51 72H 0.9322
52 BMZ 0.9319
53 DFV 0.9301
54 O9T 0.9300
55 O9Z 0.9285
56 NAR 0.9279
57 6BK 0.9276
58 AGI 0.9258
59 907 0.9253
60 U4J 0.9253
61 J2W 0.9253
62 5TU 0.9239
63 120 0.9237
64 801 0.9236
65 G2V 0.9236
66 J8D 0.9228
67 MBT 0.9228
68 9B2 0.9225
69 LU2 0.9212
70 5YA 0.9210
71 SGW 0.9209
72 IDZ 0.9208
73 NU3 0.9206
74 WLH 0.9193
75 M16 0.9187
76 MR4 0.9186
77 T5J 0.9185
78 A26 0.9183
79 122 0.9179
80 1VG 0.9178
81 334 0.9175
82 LI7 0.9173
83 TFX 0.9171
84 CWE 0.9170
85 7FZ 0.9169
86 L43 0.9164
87 3TI 0.9160
88 32F 0.9158
89 J45 0.9153
90 6JP 0.9151
91 3WK 0.9150
92 B7H 0.9149
93 123 0.9148
94 S1C 0.9140
95 OSY 0.9140
96 EEY 0.9132
97 BJ4 0.9132
98 TVC 0.9126
99 135 0.9123
100 041 0.9122
101 Q92 0.9116
102 AO 0.9105
103 6QX 0.9105
104 8E6 0.9100
105 5Z5 0.9099
106 97Z 0.9097
107 AV6 0.9095
108 4KN 0.9094
109 E92 0.9094
110 797 0.9094
111 HCC 0.9089
112 2UV 0.9086
113 TH1 0.9085
114 MR5 0.9081
115 F38 0.9079
116 LZ7 0.9078
117 1HP 0.9075
118 F40 0.9075
119 4ZF 0.9072
120 MHB 0.9066
121 272 0.9065
122 8E3 0.9064
123 196 0.9062
124 3Q0 0.9061
125 SJR 0.9060
126 8EC 0.9056
127 JFS 0.9056
128 HRD 0.9055
129 F70 0.9054
130 SDN 0.9053
131 E98 0.9052
132 WG8 0.9051
133 UAY 0.9050
134 KMP 0.9049
135 FSE 0.9048
136 IMK 0.9048
137 BUX 0.9043
138 ZTW 0.9042
139 QUE 0.9040
140 SNP 0.9038
141 FBC 0.9037
142 GEN 0.9034
143 A9E 0.9034
144 ZAR 0.9033
145 X2L 0.9030
146 9AW 0.9029
147 BBP 0.9028
148 F1T 0.9026
149 6JM 0.9021
150 A05 0.9020
151 7LU 0.9017
152 1R5 0.9015
153 1V4 0.9014
154 RNP 0.9013
155 D64 0.9012
156 68C 0.9011
157 SAK 0.9011
158 1Q1 0.9010
159 55H 0.9008
160 STL 0.9002
161 NPZ 0.8998
162 121 0.8991
163 DX8 0.8990
164 01I 0.8986
165 7G2 0.8983
166 5ZM 0.8981
167 0DJ 0.8979
168 397 0.8979
169 PNW 0.8972
170 2WU 0.8968
171 PW8 0.8965
172 6T5 0.8964
173 H32 0.8962
174 EBB 0.8958
175 L2K 0.8956
176 3K1 0.8956
177 X8I 0.8953
178 S98 0.8951
179 9CE 0.8951
180 U13 0.8946
181 QDR 0.8941
182 T21 0.8940
183 HH6 0.8935
184 KC8 0.8935
185 A9B 0.8935
186 BRZ 0.8934
187 1V3 0.8934
188 JNW 0.8933
189 PNJ 0.8932
190 4P9 0.8931
191 JL7 0.8930
192 NVS 0.8925
193 7L4 0.8923
194 ZEA 0.8922
195 Y27 0.8922
196 LJ1 0.8922
197 5NN 0.8917
198 XYP XYP 0.8916
199 J3B 0.8915
200 UN4 0.8914
201 AUY 0.8912
202 H0V 0.8912
203 3WL 0.8911
204 BUN 0.8908
205 DH2 0.8908
206 F18 0.8905
207 AX1 0.8901
208 MXM 0.8897
209 697 0.8897
210 6FX 0.8897
211 CMG 0.8896
212 GA6 0.8896
213 XZ1 0.8895
214 MRI 0.8895
215 Z3R 0.8891
216 57U 0.8889
217 WDW 0.8888
218 CUE 0.8887
219 2OX 0.8885
220 5XM 0.8884
221 UN9 0.8883
222 LUM 0.8882
223 CJN 0.8877
224 E8Z 0.8870
225 3JC 0.8870
226 245 0.8870
227 62D 0.8870
228 PIT 0.8868
229 RF2 0.8864
230 A45 0.8863
231 72G 0.8861
232 18E 0.8861
233 3RL 0.8860
234 80R 0.8859
235 3GX 0.8859
236 205 0.8859
237 BU7 0.8858
238 DMB 0.8855
239 DDC 0.8852
240 MR6 0.8851
241 BDE 0.8851
242 SLX 0.8850
243 C0V 0.8850
244 R4E 0.8848
245 2Q0 0.8847
246 BER 0.8847
247 3CA 0.8843
248 KVN 0.8838
249 P4L 0.8837
250 IW3 0.8836
251 H75 0.8834
252 IPJ 0.8834
253 1Q4 0.8834
254 DN8 0.8830
255 U14 0.8829
256 Q7U 0.8829
257 517 0.8829
258 C4E 0.8826
259 XYS XYS 0.8823
260 4UM 0.8821
261 5ER 0.8820
262 KWV 0.8818
263 BRY 0.8816
264 KXN 0.8814
265 MYC 0.8814
266 HPX 0.8813
267 6DQ 0.8813
268 0FZ 0.8810
269 VGV 0.8810
270 S16 0.8810
271 DEH 0.8809
272 6H2 0.8805
273 HUL 0.8805
274 FDZ 0.8802
275 5EZ 0.8801
276 OQR 0.8801
277 LJ2 0.8801
278 MT6 0.8800
279 83D 0.8799
280 Q0K 0.8799
281 M00 0.8798
282 3Q1 0.8796
283 J2N 0.8790
284 MYU 0.8790
285 1SX 0.8788
286 1Q2 0.8784
287 LMZ 0.8783
288 4DE 0.8781
289 EDZ 0.8781
290 LC1 0.8781
291 OAQ 0.8780
292 0S0 0.8777
293 AVX 0.8777
294 HWB 0.8776
295 ESJ 0.8776
296 IKY 0.8772
297 40N 0.8772
298 IW5 0.8769
299 DQH 0.8768
300 6QT 0.8767
301 AV7 0.8767
302 ZRL 0.8767
303 END 0.8766
304 F5N 0.8763
305 DXK 0.8761
306 9JT 0.8761
307 EES 0.8760
308 CT7 0.8756
309 244 0.8754
310 IRH 0.8753
311 A8D 0.8752
312 6B5 0.8752
313 57D 0.8749
314 OLU 0.8746
315 R3P 0.8746
316 73E 0.8744
317 4CN 0.8743
318 53X 0.8738
319 Q5M 0.8736
320 ICD 0.8736
321 VBC 0.8735
322 FNT 0.8729
323 136 0.8728
324 0K7 0.8727
325 47V 0.8726
326 0UL 0.8726
327 KHP 0.8725
328 F13 0.8725
329 JSX 0.8725
330 28A 0.8723
331 YE6 0.8722
332 6X1 0.8722
333 N4N 0.8721
334 IEE 0.8719
335 BMU 0.8719
336 D59 0.8717
337 LR2 0.8714
338 3MI 0.8714
339 BX4 0.8712
340 BVB 0.8706
341 LJ5 0.8706
342 22M 0.8703
343 K7H 0.8699
344 55U 0.8697
345 XEV 0.8695
346 P4T 0.8695
347 GYZ 0.8694
348 3D8 0.8694
349 PJK 0.8692
350 NIF 0.8691
351 P34 0.8690
352 WST 0.8688
353 68Q 0.8688
354 MI2 0.8686
355 4FC 0.8685
356 0XR 0.8684
357 38E 0.8681
358 3N0 0.8681
359 IXM 0.8681
360 GVI 0.8678
361 ZRK 0.8678
362 IIH 0.8676
363 J8G 0.8671
364 J2Q 0.8668
365 4B8 0.8665
366 I0G 0.8664
367 KUQ 0.8664
368 BO1 0.8664
369 IW4 0.8663
370 OUA 0.8663
371 3Q2 0.8659
372 5LP 0.8658
373 4K2 0.8658
374 U12 0.8657
375 IDE 0.8656
376 5E1 0.8655
377 1UA 0.8654
378 39R 0.8653
379 NE2 0.8653
380 QUG 0.8652
381 7EH 0.8652
382 OSJ 0.8651
383 79X 0.8651
384 F37 0.8650
385 9EG 0.8648
386 147 0.8647
387 B1N 0.8644
388 Z94 0.8643
389 1SF 0.8642
390 0DF 0.8636
391 OUG 0.8636
392 6F3 0.8633
393 STR 0.8631
394 7ZO 0.8626
395 IGP 0.8619
396 6MY 0.8618
397 JQF 0.8618
398 IDD 0.8616
399 5CJ 0.8615
400 1XS 0.8614
401 NRA 0.8614
402 PIQ 0.8613
403 EQU 0.8612
404 O9Q 0.8607
405 DL6 0.8606
406 B4L 0.8603
407 833 0.8600
408 AD6 0.8599
409 JCZ 0.8588
410 BSU 0.8587
411 4AU 0.8584
412 U1T 0.8582
413 2JX 0.8577
414 EST 0.8576
415 JRO 0.8570
416 PNG 0.8570
417 SAU 0.8570
418 4TX 0.8568
419 OSD 0.8567
420 JF8 0.8561
421 UL1 0.8554
422 KWD 0.8553
423 6WU 0.8550
424 0SY 0.8547
425 K3T 0.8543
426 A5H 0.8536
427 JMM 0.8534
428 FJR 0.8534
429 5P7 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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