Receptor
PDB id Resolution Class Description Source Keywords
4L09 2.05 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 4-(4- CHROMEN-2-YL)BENZOIC ACID 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;
D:1201;
A:1204;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
1UR A:1201;
B:1201;
Valid;
Valid;
none;
none;
submit data
266.248 C16 H10 O4 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: 1UR; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 1UR 1 1
2 F08 0.678571 0.870968
3 1UW 0.633333 0.794118
4 1V1 0.622642 0.71875
5 A73 0.622642 0.71875
6 20D 0.622642 0.71875
7 A63 0.611111 0.774194
8 F70 0.59375 0.72973
9 A64 0.589286 0.741935
10 1UZ 0.589286 0.741935
11 1V8 0.5 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: 1UR; Similar ligands found: 429
No: Ligand Similarity coefficient
1 1UT 0.9988
2 1V0 0.9948
3 F36 0.9946
4 08C 0.9875
5 06R 0.9809
6 2ZI 0.9783
7 27F 0.9770
8 29F 0.9761
9 W2E 0.9750
10 XAV 0.9746
11 IY5 0.9744
12 31F 0.9742
13 GN5 0.9734
14 O53 0.9699
15 97K 0.9698
16 NKI 0.9628
17 RGK 0.9573
18 338 0.9568
19 DFL 0.9564
20 5WW 0.9552
21 SZ5 0.9540
22 25F 0.9529
23 3F4 0.9497
24 91F 0.9489
25 WF4 0.9480
26 802 0.9472
27 CDJ 0.9460
28 124 0.9438
29 ECZ 0.9429
30 E9L 0.9423
31 BMZ 0.9420
32 MRE 0.9413
33 CR4 0.9411
34 VT3 0.9404
35 M3W 0.9395
36 H2W 0.9382
37 9C8 0.9380
38 7FC 0.9373
39 JKN 0.9371
40 W8L 0.9371
41 AGI 0.9361
42 NAR 0.9357
43 6BK 0.9353
44 TVZ 0.9348
45 801 0.9330
46 1VG 0.9325
47 120 0.9322
48 6QX 0.9320
49 907 0.9319
50 0NJ 0.9314
51 72H 0.9310
52 334 0.9307
53 O9T 0.9299
54 DFV 0.9298
55 O9Z 0.9298
56 8M5 0.9286
57 3TI 0.9284
58 J2W 0.9275
59 32F 0.9270
60 3G5 0.9263
61 F33 0.9257
62 135 0.9257
63 WLH 0.9255
64 6JP 0.9253
65 A26 0.9250
66 MBT 0.9249
67 G2V 0.9237
68 U4J 0.9230
69 123 0.9230
70 122 0.9212
71 T5J 0.9211
72 5TU 0.9208
73 797 0.9206
74 NBZ GLA 0.9202
75 L43 0.9199
76 3Q0 0.9198
77 8E6 0.9194
78 LU2 0.9189
79 MR4 0.9189
80 TFX 0.9185
81 IDZ 0.9184
82 SGW 0.9175
83 72G 0.9175
84 TH1 0.9172
85 AO 0.9165
86 CWE 0.9165
87 HCC 0.9163
88 J45 0.9161
89 A9E 0.9156
90 5YA 0.9155
91 AJ8 0.9152
92 S1C 0.9149
93 SNP 0.9146
94 RNP 0.9146
95 OSY 0.9143
96 8E3 0.9141
97 JZ8 0.9140
98 ZAR 0.9134
99 IMK 0.9131
100 7LU 0.9129
101 4KN 0.9122
102 J8D 0.9122
103 BJ4 0.9118
104 9B2 0.9116
105 MHB 0.9116
106 NU3 0.9113
107 7FZ 0.9110
108 5Z5 0.9105
109 M16 0.9103
110 121 0.9101
111 LZ7 0.9097
112 TVC 0.9096
113 LI7 0.9092
114 68C 0.9092
115 205 0.9091
116 A05 0.9088
117 8EC 0.9086
118 97Z 0.9085
119 3WK 0.9081
120 HRD 0.9080
121 SDN 0.9079
122 FSE 0.9078
123 2UV 0.9078
124 E98 0.9075
125 4DE 0.9074
126 6T5 0.9072
127 QUE 0.9071
128 KMP 0.9068
129 E92 0.9063
130 X2L 0.9063
131 MR5 0.9062
132 WG8 0.9059
133 1HP 0.9057
134 NVS 0.9056
135 F38 0.9051
136 BRZ 0.9047
137 SJR 0.9047
138 GEN 0.9043
139 F1T 0.9038
140 KC8 0.9037
141 STL 0.9037
142 HUL 0.9035
143 AV6 0.9034
144 ZTW 0.9034
145 041 0.9030
146 Y27 0.9028
147 BUN 0.9027
148 KHP 0.9026
149 H0V 0.9022
150 6JM 0.9020
151 PW8 0.9019
152 ICD 0.9019
153 BBP 0.9017
154 MXM 0.9017
155 B7H 0.9013
156 JFS 0.9013
157 DX8 0.9007
158 EEY 0.9006
159 01I 0.9006
160 UAY 0.9005
161 272 0.9005
162 HH6 0.9001
163 D64 0.9000
164 2WU 0.8994
165 N5B 0.8993
166 S98 0.8991
167 NPZ 0.8991
168 X8I 0.8990
169 4ZF 0.8988
170 EBB 0.8988
171 3K1 0.8987
172 AJ6 0.8986
173 Q92 0.8985
174 397 0.8982
175 SAK 0.8982
176 1R5 0.8981
177 57U 0.8978
178 A45 0.8974
179 1V4 0.8972
180 55H 0.8971
181 7G2 0.8971
182 6FX 0.8970
183 5ZM 0.8965
184 1Q1 0.8963
185 WDW 0.8961
186 ZEA 0.8961
187 F5N 0.8956
188 E8Z 0.8954
189 J3B 0.8951
190 Q0K 0.8950
191 1V3 0.8949
192 697 0.8947
193 U13 0.8945
194 CMG 0.8941
195 4P9 0.8941
196 PNJ 0.8937
197 AX1 0.8937
198 2OX 0.8936
199 JNW 0.8936
200 UN4 0.8934
201 RF2 0.8929
202 23M 0.8921
203 FDZ 0.8921
204 0FZ 0.8920
205 F40 0.8919
206 9AW 0.8915
207 H75 0.8914
208 T21 0.8910
209 F18 0.8910
210 A9B 0.8908
211 3JC 0.8904
212 3WL 0.8901
213 H32 0.8900
214 FL8 0.8899
215 QDR 0.8898
216 136 0.8896
217 18E 0.8896
218 7L4 0.8896
219 BUX 0.8895
220 3RL 0.8895
221 Z3R 0.8894
222 DDC 0.8892
223 L2K 0.8890
224 FBC 0.8889
225 CJN 0.8887
226 CUE 0.8886
227 GA6 0.8883
228 OAQ 0.8883
229 IPJ 0.8883
230 J5Z 0.8882
231 196 0.8882
232 517 0.8881
233 LJ5 0.8880
234 5EZ 0.8879
235 Q7U 0.8876
236 SLX 0.8875
237 DEH 0.8874
238 LMZ 0.8874
239 5XM 0.8869
240 0DJ 0.8869
241 3MI 0.8869
242 L8N 0.8868
243 XYP XYP 0.8868
244 MRI 0.8868
245 P34 0.8868
246 BU7 0.8866
247 6B5 0.8865
248 PIT 0.8864
249 5OR 0.8863
250 245 0.8863
251 1FL 0.8860
252 IEE 0.8857
253 END 0.8857
254 AUY 0.8857
255 1UA 0.8855
256 S16 0.8854
257 PNW 0.8852
258 62D 0.8849
259 6H2 0.8844
260 OQR 0.8843
261 BER 0.8843
262 YE7 0.8842
263 KWV 0.8841
264 QUG 0.8840
265 UN9 0.8840
266 BRY 0.8838
267 DQH 0.8836
268 R4E 0.8827
269 WST 0.8827
270 J2N 0.8827
271 83D 0.8827
272 IDE 0.8827
273 IW3 0.8822
274 47X 0.8821
275 I0G 0.8820
276 MYC 0.8818
277 LUM 0.8817
278 5DE 0.8817
279 LJ1 0.8817
280 INI 0.8815
281 MR6 0.8814
282 BO1 0.8813
283 2Q0 0.8810
284 9CE 0.8807
285 3Q1 0.8805
286 F13 0.8804
287 MYU 0.8803
288 XZ1 0.8803
289 JL7 0.8800
290 A8D 0.8797
291 MI2 0.8793
292 73E 0.8792
293 5NN 0.8789
294 ESJ 0.8787
295 U14 0.8783
296 6MY 0.8782
297 57D 0.8779
298 4UM 0.8779
299 PJK 0.8779
300 40N 0.8771
301 GVI 0.8770
302 DN8 0.8770
303 C4E 0.8769
304 QS4 0.8769
305 XYS XYS 0.8767
306 CT7 0.8766
307 MT6 0.8765
308 P4L 0.8764
309 1SX 0.8759
310 68Q 0.8758
311 DH2 0.8755
312 9JT 0.8752
313 0K7 0.8752
314 244 0.8751
315 KXN 0.8750
316 AV7 0.8750
317 FNT 0.8749
318 HWB 0.8748
319 36K 0.8748
320 IW5 0.8745
321 BMU 0.8742
322 N4N 0.8741
323 BX4 0.8741
324 R3P 0.8740
325 5LP 0.8738
326 LJ2 0.8738
327 IDD 0.8737
328 D59 0.8735
329 EES 0.8735
330 F37 0.8735
331 LC1 0.8733
332 JQF 0.8732
333 NW1 0.8730
334 B1N 0.8729
335 3DL 0.8729
336 3Q2 0.8728
337 39R 0.8726
338 IIH 0.8726
339 7GK 0.8726
340 7G0 0.8724
341 5ER 0.8723
342 1Q2 0.8723
343 3GX 0.8723
344 U1T 0.8722
345 0S0 0.8722
346 IW4 0.8722
347 AVX 0.8717
348 CX6 0.8715
349 4FC 0.8714
350 DMB 0.8714
351 A5H 0.8708
352 6X1 0.8705
353 IGP 0.8701
354 47V 0.8701
355 53X 0.8700
356 79X 0.8700
357 JSX 0.8699
358 K7H 0.8698
359 NZ4 0.8697
360 YE6 0.8697
361 55U 0.8696
362 OLU 0.8689
363 8XY 0.8689
364 IXM 0.8686
365 0XR 0.8686
366 J2Q 0.8683
367 6QT 0.8680
368 BVB 0.8680
369 65W 0.8674
370 KWD 0.8672
371 4K2 0.8670
372 4NR 0.8667
373 STR 0.8666
374 38E 0.8666
375 HPX 0.8660
376 SAU 0.8656
377 B4L 0.8655
378 OUG 0.8654
379 3N0 0.8654
380 PIQ 0.8652
381 S13 0.8651
382 EST 0.8650
383 7EH 0.8649
384 AD6 0.8649
385 U12 0.8645
386 LR2 0.8645
387 FZB 0.8643
388 OSJ 0.8642
389 1DR 0.8639
390 28A 0.8638
391 D26 0.8637
392 UL1 0.8636
393 ZRL 0.8635
394 Q5M 0.8633
395 M08 0.8632
396 IRH 0.8632
397 3D8 0.8629
398 7ZO 0.8628
399 NRA 0.8623
400 6F3 0.8622
401 DXK 0.8620
402 4CN 0.8615
403 PLO 0.8613
404 CMP 0.8613
405 2JX 0.8613
406 J8G 0.8613
407 NE2 0.8612
408 JMM 0.8607
409 5E2 0.8606
410 EQU 0.8604
411 OUA 0.8604
412 6DQ 0.8603
413 PNG 0.8597
414 0NH 0.8596
415 1XS 0.8593
416 MBE 0.8586
417 JRO 0.8585
418 NIF 0.8580
419 5CJ 0.8573
420 M00 0.8563
421 BSU 0.8563
422 5E1 0.8563
423 ZRK 0.8560
424 4QX 0.8557
425 0SY 0.8554
426 4TX 0.8552
427 609 0.8548
428 LIG 0.8541
429 15Q 0.8538
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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