Receptor
PDB id Resolution Class Description Source Keywords
4L0S 1.9 Å EC: 2.4.2.30 TANKYRASE 2 IN COMPLEX WITH 4'-CYANO 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
1UZ A:1201;
B:1201;
 Valid;
Valid;
 none;
none;
 submit data
247.248 C16 H9 N O2 c1ccc...
SO4 A:1203;
B:1203;
A:1204;
B:1204;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
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: 1UZ; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 1UZ 1 1
2 1V1 0.634615 0.766667
3 A73 0.634615 0.766667
4 20D 0.634615 0.766667
5 A63 0.622642 0.766667
6 1UT 0.611111 0.615385
7 A64 0.6 0.793103
8 1UR 0.589286 0.741935
9 F70 0.553846 0.722222
10 F08 0.55 0.69697
11 1UW 0.539683 0.638889
12 1V8 0.507937 0.621622
Similar Ligands (3D)
Ligand no: 1; Ligand: 1UZ; Similar ligands found: 493
No: Ligand Similarity coefficient
1 08C 1.0000
2 27F 1.0000
3 NKI 0.9882
4 25F 0.9854
5 RGK 0.9814
6 F36 0.9809
7 DFL 0.9799
8 SZ5 0.9785
9 5WW 0.9759
10 1V0 0.9753
11 3F4 0.9746
12 O53 0.9742
13 91F 0.9737
14 CDJ 0.9730
15 W8L 0.9715
16 VT3 0.9713
17 H2W 0.9687
18 M3W 0.9663
19 E9L 0.9655
20 97K 0.9651
21 WLH 0.9649
22 31F 0.9622
23 06R 0.9607
24 GN5 0.9599
25 29F 0.9586
26 XAV 0.9564
27 IY5 0.9534
28 2ZI 0.9513
29 W2E 0.9510
30 AGI 0.9496
31 O9Z 0.9468
32 338 0.9458
33 DFV 0.9456
34 SGW 0.9446
35 BJ4 0.9410
36 6BK 0.9404
37 NU3 0.9391
38 F40 0.9391
39 MRE 0.9390
40 0NJ 0.9379
41 3TI 0.9379
42 LI7 0.9367
43 NAR 0.9360
44 6JP 0.9356
45 HH6 0.9347
46 O9T 0.9342
47 1V4 0.9337
48 KMP 0.9314
49 1HP 0.9312
50 IDZ 0.9309
51 OSY 0.9303
52 JKN 0.9302
53 124 0.9296
54 7FC 0.9295
55 802 0.9289
56 7L4 0.9282
57 LU2 0.9281
58 U4J 0.9280
59 1V3 0.9280
60 ECZ 0.9270
61 8M5 0.9269
62 P4L 0.9259
63 DDC 0.9257
64 J8D 0.9252
65 A9E 0.9248
66 3G5 0.9244
67 272 0.9244
68 135 0.9235
69 57U 0.9233
70 801 0.9233
71 WF4 0.9231
72 CR4 0.9231
73 122 0.9230
74 FSE 0.9228
75 ZAR 0.9227
76 6JM 0.9224
77 BMZ 0.9222
78 HRD 0.9222
79 3WK 0.9213
80 UAY 0.9208
81 H75 0.9207
82 120 0.9205
83 JFS 0.9204
84 2WU 0.9204
85 U13 0.9199
86 ZEA 0.9199
87 F18 0.9196
88 5NN 0.9195
89 TVZ 0.9195
90 6QX 0.9193
91 4ZF 0.9182
92 9C8 0.9180
93 72H 0.9179
94 7LU 0.9179
95 3JC 0.9178
96 S98 0.9177
97 CWE 0.9171
98 Q0K 0.9170
99 3GX 0.9169
100 1R5 0.9169
101 1VG 0.9168
102 A9B 0.9165
103 B7H 0.9164
104 AUY 0.9163
105 D64 0.9162
106 2UV 0.9157
107 HUL 0.9151
108 5TU 0.9146
109 G2V 0.9144
110 9CE 0.9142
111 QUE 0.9138
112 7G2 0.9137
113 WDW 0.9136
114 L43 0.9135
115 121 0.9132
116 NVS 0.9130
117 DX8 0.9130
118 BUX 0.9122
119 MR4 0.9120
120 9JT 0.9117
121 32F 0.9116
122 SNP 0.9110
123 GEN 0.9109
124 LZ7 0.9109
125 VBC 0.9106
126 TVC 0.9106
127 6T5 0.9106
128 6DQ 0.9104
129 CUE 0.9102
130 907 0.9102
131 Q92 0.9096
132 SAK 0.9095
133 JSX 0.9093
134 S1C 0.9091
135 X2L 0.9090
136 57D 0.9089
137 797 0.9088
138 MHB 0.9088
139 S1D 0.9087
140 L2K 0.9084
141 P7V 0.9083
142 5ZM 0.9082
143 BBP 0.9081
144 YE7 0.9075
145 C4E 0.9072
146 5YA 0.9068
147 DXK 0.9068
148 ZTW 0.9066
149 18E 0.9065
150 TH1 0.9064
151 334 0.9063
152 3WL 0.9063
153 196 0.9061
154 1FL 0.9058
155 697 0.9052
156 IMK 0.9045
157 SJR 0.9043
158 MBT 0.9041
159 WG8 0.9039
160 AO 0.9038
161 3CA 0.9036
162 397 0.9034
163 R4E 0.9033
164 LR2 0.9029
165 IKY 0.9027
166 DH2 0.9026
167 A26 0.9025
168 MXM 0.9024
169 SDN 0.9023
170 IPJ 0.9023
171 2GQ 0.9022
172 H32 0.9021
173 M16 0.9013
174 4DE 0.9013
175 J2W 0.9013
176 STL 0.9009
177 MRI 0.9006
178 DQH 0.9002
179 RF2 0.9001
180 AV6 0.9000
181 123 0.8999
182 6QT 0.8995
183 62D 0.8992
184 PW8 0.8992
185 JNW 0.8990
186 HCC 0.8987
187 0K7 0.8987
188 LVY 0.8987
189 RNP 0.8986
190 JL7 0.8986
191 6B5 0.8985
192 UN9 0.8984
193 NPZ 0.8980
194 A05 0.8980
195 PIQ 0.8975
196 QUG 0.8971
197 WST 0.8967
198 GVI 0.8966
199 AVX 0.8963
200 A5H 0.8961
201 MR5 0.8957
202 WA2 0.8957
203 28A 0.8956
204 CMG 0.8955
205 NIF 0.8955
206 T5J 0.8953
207 5OR 0.8946
208 3D8 0.8946
209 I0G 0.8946
210 MYU 0.8943
211 LMZ 0.8943
212 TFX 0.8943
213 XYP XYP 0.8942
214 7FZ 0.8941
215 3Q0 0.8940
216 FNT 0.8939
217 EMU 0.8937
218 97Z 0.8936
219 DEH 0.8936
220 UN4 0.8935
221 0UL 0.8934
222 MYC 0.8934
223 68C 0.8933
224 J45 0.8931
225 4UM 0.8930
226 8UY 0.8929
227 NYJ 0.8928
228 0DJ 0.8926
229 PJK 0.8925
230 EDZ 0.8924
231 BU7 0.8924
232 IQW 0.8923
233 YE6 0.8921
234 U14 0.8921
235 F38 0.8920
236 S45 0.8915
237 6TJ 0.8915
238 5DE 0.8914
239 LUM 0.8913
240 ZRL 0.8909
241 9AW 0.8907
242 041 0.8906
243 IDD 0.8904
244 5ER 0.8903
245 SLX 0.8902
246 6H2 0.8897
247 DL6 0.8895
248 F33 0.8894
249 GA6 0.8894
250 O9Q 0.8893
251 CX6 0.8893
252 QC1 0.8891
253 Q5M 0.8891
254 8E3 0.8890
255 4KN 0.8887
256 KHP 0.8885
257 47V 0.8884
258 72G 0.8883
259 205 0.8880
260 0DF 0.8879
261 2Q0 0.8878
262 8E6 0.8877
263 BRY 0.8875
264 2QU 0.8872
265 INI 0.8872
266 47X 0.8870
267 5S9 0.8868
268 2JX 0.8868
269 0H5 0.8868
270 40N 0.8867
271 9B2 0.8867
272 4P9 0.8865
273 9OF 0.8865
274 3WO 0.8863
275 3WN 0.8863
276 MR6 0.8862
277 53X 0.8858
278 OLU 0.8857
279 K7H 0.8854
280 4NR 0.8851
281 1SF 0.8851
282 4GU 0.8850
283 FBC 0.8849
284 Y27 0.8849
285 ZRK 0.8849
286 5B2 0.8848
287 1FE 0.8848
288 AX1 0.8847
289 NE2 0.8845
290 01I 0.8841
291 7G0 0.8841
292 JCZ 0.8841
293 4FC 0.8841
294 XYS XYS 0.8838
295 5E5 0.8838
296 38E 0.8837
297 EES 0.8833
298 4K2 0.8833
299 4AU 0.8831
300 244 0.8826
301 4FF 0.8824
302 JRO 0.8823
303 JF8 0.8822
304 833 0.8820
305 T21 0.8820
306 4L2 0.8815
307 EQU 0.8815
308 1DR 0.8814
309 6FX 0.8814
310 1Q4 0.8813
311 5P7 0.8812
312 6VW 0.8812
313 7ZO 0.8812
314 PNW 0.8812
315 5WT 0.8810
316 XZ1 0.8808
317 LIG 0.8807
318 1XS 0.8806
319 5Z5 0.8806
320 F1T 0.8805
321 83D 0.8804
322 7EH 0.8803
323 S0D 0.8802
324 0XR 0.8801
325 KWD 0.8801
326 IW3 0.8799
327 ESR 0.8798
328 EST 0.8798
329 5XM 0.8797
330 KXN 0.8796
331 Q7U 0.8796
332 S60 0.8794
333 OAQ 0.8793
334 2D2 0.8790
335 P4T 0.8790
336 1Q1 0.8786
337 1SX 0.8786
338 8EC 0.8783
339 2OX 0.8781
340 0SY 0.8781
341 NW1 0.8780
342 5E1 0.8779
343 ZIP 0.8779
344 KWV 0.8778
345 2P3 0.8778
346 0FZ 0.8778
347 OQR 0.8777
348 MJW 0.8775
349 SNJ 0.8775
350 HWB 0.8772
351 ASE 0.8771
352 H4B 0.8770
353 EBB 0.8767
354 ERZ 0.8767
355 IXM 0.8766
356 4QX 0.8763
357 ICD 0.8761
358 QS4 0.8760
359 A6W 0.8759
360 5P3 0.8758
361 Z3R 0.8757
362 0S0 0.8757
363 NRA 0.8756
364 5EZ 0.8753
365 PNJ 0.8752
366 KU1 0.8751
367 FZB 0.8750
368 IIH 0.8749
369 BER 0.8746
370 BGU 0.8744
371 J2N 0.8744
372 CJN 0.8743
373 245 0.8743
374 6XC 0.8741
375 5V7 0.8741
376 3RL 0.8741
377 3N0 0.8740
378 6WU 0.8739
379 XEV 0.8736
380 AP6 0.8736
381 AXX 0.8734
382 3K1 0.8734
383 Q4G 0.8734
384 U12 0.8731
385 ESJ 0.8731
386 IK1 0.8728
387 ITE 0.8728
388 LC1 0.8727
389 IQZ 0.8727
390 UL1 0.8726
391 5VU 0.8726
392 J3Z 0.8723
393 3SU 0.8722
394 7EL 0.8718
395 DX2 0.8718
396 4HG 0.8717
397 BO1 0.8716
398 LJ1 0.8715
399 5E2 0.8715
400 PRL 0.8715
401 0MB 0.8713
402 2QV 0.8709
403 MT6 0.8706
404 E92 0.8705
405 XDL XYP 0.8703
406 II4 0.8701
407 517 0.8699
408 5CJ 0.8698
409 55H 0.8697
410 CT7 0.8695
411 B4L 0.8694
412 4CN 0.8693
413 S13 0.8692
414 90G 0.8692
415 78Y 0.8692
416 8HH 0.8691
417 BVB 0.8690
418 8G6 0.8688
419 IW5 0.8686
420 TID 0.8685
421 IRH 0.8684
422 FYR 0.8682
423 U1T 0.8682
424 79X 0.8682
425 ZSP 0.8680
426 DMB 0.8680
427 E98 0.8680
428 PCQ 0.8679
429 HPX 0.8678
430 27M 0.8672
431 1EL 0.8671
432 A8D 0.8671
433 CG 0.8663
434 DX7 0.8663
435 XYP XDN 0.8660
436 0OK 0.8660
437 J8G 0.8660
438 DHT 0.8658
439 AZB 0.8656
440 3Q1 0.8655
441 2PK 0.8655
442 AV7 0.8651
443 FCW 0.8650
444 SSY 0.8646
445 YZ9 0.8646
446 XYS XYP 0.8645
447 BBY 0.8641
448 YEX 0.8636
449 20N 0.8634
450 OSJ 0.8633
451 L03 0.8629
452 TYP 0.8629
453 E8Z 0.8625
454 X2M 0.8625
455 2PW 0.8624
456 KLV 0.8622
457 FHV 0.8621
458 STR 0.8621
459 IQQ 0.8620
460 UN3 0.8615
461 1Q2 0.8610
462 M3F 0.8598
463 LJ2 0.8596
464 GOE 0.8591
465 OUA 0.8590
466 108 0.8590
467 5DN 0.8586
468 AJG 0.8584
469 NAL 0.8582
470 BX4 0.8582
471 Q11 0.8581
472 GB4 0.8578
473 TCR 0.8575
474 5H6 0.8571
475 6C8 0.8569
476 PIT 0.8568
477 5TO 0.8568
478 5CK 0.8567
479 L5D 0.8566
480 J2Q 0.8564
481 NZ4 0.8563
482 6JO 0.8562
483 CZ0 0.8559
484 CLI 0.8557
485 OUG 0.8551
486 RPB 0.8550
487 LWS 0.8547
488 39Z 0.8544
489 BUN 0.8535
490 AQN 0.8534
491 N4N 0.8524
492 IOP 0.8524
493 R3P 0.8518
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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