Receptor
PDB id Resolution Class Description Source Keywords
4UI5 1.65 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA-41 HOMO SAPIENS TRANSFERASE DIPHTHERIA TOXIN LIKE FOLD ADP- RIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE-ACTIVITY RELATIONSHIPS OF 2-ARYLQUINAZOLI AS HIGHLY SELECTIVE AND POTENT INHIBITORS OF THE TANKYRASES. EUR.J.MED.CHEM. V. 118 316 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:2118;
C:2162;
A:2117;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:2115;
D:2162;
B:2115;
A:2114;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
BJ4 A:2116;
B:2116;
 Valid;
Valid;
 none;
none;
 ic50 = 167 nM
266.295 C16 H14 N2 O2 Cc1cc...
ZN A:2113;
B:2114;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
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: BJ4; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 BJ4 1 1
2 ECZ 0.721311 0.875
3 VT3 0.612903 0.888889
4 M3W 0.606557 0.837209
5 SZ5 0.454545 0.790698
6 2ZI 0.442857 0.729167
7 IY5 0.416667 0.78
Similar Ligands (3D)
Ligand no: 1; Ligand: BJ4; Similar ligands found: 389
No: Ligand Similarity coefficient
1 SGW 0.9949
2 E9L 0.9843
3 CDJ 0.9826
4 W8L 0.9770
5 H2W 0.9768
6 5NN 0.9676
7 5WW 0.9675
8 3GX 0.9601
9 20D 0.9564
10 DFL 0.9553
11 25F 0.9536
12 A73 0.9529
13 RGK 0.9510
14 1V1 0.9504
15 AGI 0.9476
16 3F4 0.9463
17 0H5 0.9458
18 NKI 0.9431
19 1UZ 0.9410
20 O9Z 0.9410
21 27F 0.9393
22 BHF 0.9369
23 3WL 0.9368
24 08C 0.9366
25 DXK 0.9342
26 F40 0.9338
27 A63 0.9328
28 KMP 0.9323
29 D64 0.9322
30 NYJ 0.9317
31 QUE 0.9311
32 NAR 0.9300
33 LU2 0.9290
34 O9T 0.9288
35 WLH 0.9274
36 NU3 0.9273
37 FHI 0.9258
38 91F 0.9253
39 TH1 0.9250
40 P4L 0.9248
41 GEN 0.9245
42 1V4 0.9242
43 97K 0.9227
44 CWE 0.9227
45 1HP 0.9222
46 IDD 0.9220
47 3WK 0.9218
48 SAK 0.9211
49 2QV 0.9209
50 1Q4 0.9209
51 BUX 0.9199
52 AP6 0.9199
53 8G6 0.9193
54 7L4 0.9191
55 DFV 0.9188
56 5P3 0.9187
57 6BK 0.9186
58 2QU 0.9183
59 57D 0.9178
60 R4E 0.9173
61 1V3 0.9172
62 3JC 0.9171
63 UI2 0.9166
64 LVY 0.9165
65 PNJ 0.9165
66 6XC 0.9152
67 ZRL 0.9151
68 PIQ 0.9147
69 PD6 0.9137
70 3WJ 0.9136
71 1UT 0.9132
72 IMK 0.9130
73 1FL 0.9125
74 F18 0.9125
75 6DQ 0.9125
76 DX2 0.9124
77 9CE 0.9120
78 IW6 0.9120
79 1UR 0.9118
80 7LU 0.9117
81 B7H 0.9117
82 YJX 0.9114
83 697 0.9113
84 40W 0.9112
85 AIQ 0.9110
86 BRY 0.9108
87 F36 0.9108
88 MYC 0.9107
89 O53 0.9106
90 DDC 0.9093
91 3CA 0.9090
92 6B5 0.9088
93 A64 0.9083
94 34L 0.9075
95 MRI 0.9072
96 LWS 0.9071
97 0DF 0.9063
98 7FC 0.9058
99 1V0 0.9057
100 2AN 0.9050
101 O9Q 0.9046
102 MYU 0.9046
103 6QT 0.9036
104 272 0.9033
105 5ZM 0.9031
106 Q0K 0.9028
107 4L2 0.9027
108 6JM 0.9025
109 1EL 0.9022
110 338 0.9020
111 6JP 0.9017
112 YEX 0.9016
113 RDL 0.9004
114 ML1 0.9001
115 IDZ 0.8990
116 LI7 0.8990
117 OA4 0.8986
118 5DN 0.8986
119 X8E 0.8986
120 5B2 0.8985
121 JKN 0.8983
122 HH6 0.8981
123 3G5 0.8980
124 5V7 0.8979
125 MFR 0.8977
126 1V8 0.8970
127 WG8 0.8969
128 HUL 0.8968
129 DH2 0.8962
130 S1D 0.8953
131 PNW 0.8950
132 CC6 0.8948
133 B4L 0.8947
134 3TI 0.8946
135 J8D 0.8945
136 UAY 0.8944
137 2UV 0.8942
138 6TJ 0.8936
139 P9I 0.8936
140 NW1 0.8934
141 DQH 0.8933
142 041 0.8931
143 CJN 0.8929
144 GAT 0.8929
145 IQW 0.8929
146 FSE 0.8928
147 4NR 0.8917
148 LI4 0.8917
149 CUE 0.8916
150 DTQ 0.8914
151 244 0.8907
152 C4E 0.8906
153 196 0.8906
154 1R5 0.8904
155 2GQ 0.8904
156 6QX 0.8900
157 DLZ 0.8899
158 YE7 0.8898
159 DL6 0.8898
160 5E5 0.8895
161 74Z 0.8890
162 36I 0.8889
163 XZ1 0.8883
164 4ZF 0.8883
165 NPZ 0.8873
166 KN1 0.8872
167 U13 0.8869
168 06R 0.8867
169 29F 0.8865
170 SU9 0.8865
171 LMZ 0.8863
172 EVO 0.8863
173 58N 0.8861
174 9K2 0.8859
175 4K2 0.8853
176 7NU 0.8852
177 1AV 0.8849
178 HWB 0.8848
179 3D8 0.8847
180 18E 0.8845
181 JFS 0.8845
182 B61 0.8844
183 B2E 0.8840
184 9OF 0.8840
185 ASE 0.8839
186 8M5 0.8838
187 JTF 0.8835
188 PE2 0.8831
189 AV6 0.8830
190 T02 0.8828
191 5WT 0.8827
192 31F 0.8822
193 CZ0 0.8822
194 L3L 0.8819
195 HWH 0.8819
196 APQ 0.8819
197 MVJ 0.8818
198 INI 0.8815
199 H35 0.8814
200 MHB 0.8813
201 BHM 0.8813
202 3WN 0.8809
203 3WO 0.8809
204 UX0 0.8809
205 9KQ 0.8809
206 8HH 0.8805
207 AVX 0.8805
208 OSY 0.8802
209 GAL PHB 0.8801
210 WST 0.8799
211 4GU 0.8794
212 JSX 0.8791
213 5E2 0.8791
214 W2E 0.8789
215 FZB 0.8787
216 CMG 0.8786
217 6T5 0.8785
218 UN4 0.8784
219 5E1 0.8783
220 XAV 0.8776
221 ZJB 0.8776
222 5F8 0.8771
223 MR4 0.8769
224 Q5M 0.8768
225 8E3 0.8766
226 6FX 0.8766
227 NIF 0.8766
228 NBZ GLA 0.8765
229 XYP XYP 0.8764
230 HFT 0.8761
231 JF8 0.8759
232 0SY 0.8759
233 7EH 0.8758
234 GNG 0.8757
235 ZEA 0.8755
236 GWD 0.8753
237 M08 0.8752
238 DE7 0.8751
239 CHQ 0.8750
240 A9B 0.8750
241 LIG 0.8748
242 BGC BGC 0.8747
243 2JX 0.8746
244 1SF 0.8746
245 LEC 0.8744
246 GN5 0.8744
247 NVS 0.8744
248 ZAR 0.8743
249 BO1 0.8743
250 JJ3 0.8741
251 96U 0.8741
252 RUG 0.8740
253 2UD 0.8738
254 E6Q 0.8738
255 IQZ 0.8736
256 JRO 0.8735
257 TQ1 0.8734
258 Q4G 0.8729
259 BZC 0.8728
260 3C3 0.8727
261 F1T 0.8725
262 H4B 0.8725
263 PNG 0.8724
264 FD7 0.8724
265 P34 0.8723
266 EES 0.8722
267 H75 0.8720
268 MR5 0.8717
269 G2V 0.8716
270 BIO 0.8714
271 QC1 0.8708
272 IRH 0.8708
273 5FL 0.8707
274 KXN 0.8706
275 ISX 0.8705
276 ELH 0.8700
277 ZRK 0.8698
278 5XM 0.8697
279 AXX 0.8696
280 5KN 0.8692
281 CX6 0.8686
282 MBP 0.8685
283 AX1 0.8682
284 FYJ 0.8679
285 245 0.8677
286 KF5 0.8675
287 UL1 0.8675
288 0UL 0.8673
289 IQQ 0.8672
290 J8G 0.8671
291 96R 0.8671
292 0NH 0.8669
293 56N 0.8668
294 INR 0.8666
295 2T4 0.8666
296 64F 0.8665
297 FER 0.8665
298 AUY 0.8664
299 IK1 0.8664
300 7G0 0.8662
301 BU7 0.8662
302 IXM 0.8662
303 69W 0.8660
304 2WU 0.8659
305 HBI 0.8659
306 OAL 0.8655
307 FSU 0.8654
308 SQM 0.8653
309 C3G 0.8652
310 8SK 0.8652
311 3Q0 0.8652
312 H2B 0.8652
313 38E 0.8651
314 40N 0.8651
315 147 0.8649
316 GAL NPO 0.8649
317 Z15 0.8647
318 LL1 0.8646
319 T5J 0.8646
320 IIH 0.8646
321 F08 0.8643
322 LFN 0.8637
323 0OK 0.8637
324 ESM 0.8636
325 PJK 0.8634
326 E3U 0.8633
327 4AB 0.8630
328 NE2 0.8629
329 19E 0.8628
330 5TU 0.8627
331 GJB 0.8627
332 DX8 0.8627
333 S98 0.8626
334 UN9 0.8626
335 78P 0.8625
336 X2M 0.8622
337 Q92 0.8622
338 MRE 0.8622
339 L5D 0.8619
340 5CJ 0.8617
341 JCZ 0.8614
342 2D2 0.8613
343 0X2 0.8613
344 E2Q 0.8613
345 I0G 0.8612
346 MT6 0.8610
347 K8W 0.8609
348 7G2 0.8607
349 TVC 0.8607
350 0O7 0.8605
351 SXX 0.8605
352 NTF 0.8603
353 205 0.8595
354 QR2 0.8595
355 3JN 0.8594
356 4CN 0.8592
357 QS4 0.8587
358 GVI 0.8586
359 YE6 0.8586
360 CFK 0.8585
361 HM5 0.8585
362 1AJ 0.8584
363 79X 0.8583
364 833 0.8581
365 6H2 0.8580
366 FNT 0.8576
367 XEZ 0.8576
368 5P7 0.8574
369 HKK 0.8574
370 UQ1 0.8569
371 AMR 0.8569
372 IFM BGC 0.8565
373 4AU 0.8564
374 7FZ 0.8560
375 EQU 0.8551
376 3SU 0.8551
377 123 0.8550
378 MG7 0.8545
379 53X 0.8545
380 X2L 0.8541
381 AUV 0.8535
382 4RG 0.8531
383 BMZ 0.8530
384 EDZ 0.8525
385 EST 0.8522
386 N18 0.8516
387 68C 0.8511
388 AQN 0.8507
389 OUA 0.8505
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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