Receptor
PDB id Resolution Class Description Source Keywords
5FSN 1.69 Å EC: 3.6.1.55 MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH A AMINOMETHYLPYRIMI OXYPROPANOL. HOMO SAPIENS NUDT1 HYDROLASE
Ref.: MTH1 SUBSTRATE RECOGNITION--AN EXAMPLE OF SPECIFIC PROMISCUITY. PLOS ONE V. 11 51154 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:202;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
6Q3 A:201;
 Valid;
 none;
 Kd = 1.7 uM
183.208 C8 H13 N3 O2 Cc1cc...
DMS A:203;
 Invalid;
 none;
 submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6US2 1.8 Å EC: 3.6.1.55 MTH1 IN COMPLEX WITH COMPOUND 5 HOMO SAPIENS HYDROLASE NUDT1 NUDIX HYDROLASE INHIBITOR HYDROLASE-HYDRINHIBITOR COMPLEX
Ref.: DISCOVERY OF POTENT AND SELECTIVE MTH1 INHIBITORS F ONCOLOGY: ENABLING RAPID TARGET (IN)VALIDATION. ACS MED.CHEM.LETT. V. 11 358 2020
Members (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6US4 ic50 = 13 nM GN6 C12 H8 Cl2 N4 c1cc(c(c(c....
2 4C9X Kd = 48 nM VHS C21 H22 Cl2 F N5 O C[C@@H](c1....
3 5ANW Kd = 0.003 uM 9CQ C18 H18 N4 O CN(C)C(=O)....
4 6F23 ic50 = 0.005 uM C8Z C17 H17 N3 c1ccc(cc1)....
5 5ANV Kd = 0.0005 uM RGJ C19 H17 Cl F N3 O3 CNC(=O)c1c....
6 4N1T ic50 = 0.8 nM 2GD C11 H10 Cl2 N4 CNc1cc(nc(....
7 6AA4 ic50 = 0.47 uM MKS C24 H26 O6 CC(=CCc1c(....
8 5WS7 - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
9 3ZR0 - 8OG C10 H14 N5 O8 P C1[C@@H]([....
10 6ILI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
11 5NGS ic50 = 170 nM 8WW C13 H13 N5 S c1ccc(cc1)....
12 6US3 ic50 = 81 nM 8JF C18 H17 N3 O Cc1cccc(c1....
13 4C9W Kd = 781 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
14 5GHJ - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
15 5GHI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
16 5NHY ic50 = 2.3 nM 8XT C15 H20 N4 O2 CCNC(=O)c1....
17 6F20 Kd = 49.5 uM C9E C10 H10 N2 O2 CCOC(=O)c1....
18 5GHQ - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
19 5ANU Kd = 0.0004 uM 58T C17 H19 N5 O4 CNc1c2c3nc....
20 4N1U ic50 = 5 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
21 6F22 ic50 = 0.002 uM C9B C16 H16 N4 O c1ccc(cc1)....
22 5FSM Kd > 40 uM N91 C10 H11 N3 O CC(=O)Nc1c....
23 5NGR ic50 = 24 uM 8WT C6 H7 N5 S CSc1[nH]c2....
24 5OTM - 6OG C11 H16 N5 O7 P COc1c2c(nc....
25 6F1X ic50 = 0.02 uM C9Q C16 H14 Cl N3 O CCNC(=O)c1....
26 5ANS ic50 = 2.056 uM RX8 C17 H22 N4 O2 CCOCc1nc2c....
27 5FSN Kd = 1.7 uM 6Q3 C8 H13 N3 O2 Cc1cc(nc(n....
28 5GHO - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
29 5FSO Kd = 0.81 uM S76 C5 H7 N3 O2 CNC1=CC(=O....
30 5FSK - H6Y C10 H16 N5 O14 P3 c1nc(c2c(n....
31 6AA5 ic50 = 0.052 uM MKU C24 H26 O6 CC(=CCc1c2....
32 5GHN - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
33 5ANT Kd = 0.44 uM RJE C16 H19 N5 O3 CNc1c2c(nc....
34 5FSI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
35 6US2 Ki = 5.2 pM S3O C18 H21 N3 O Cc1cccc(c1....
36 5GHM - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
37 5NGT - 8WZ C12 H10 N2 O2 Cc1cc(c2c(....
38 5FSL Kd = 24 uM UAN C7 H9 N5 O CNC1=Nc2c(....
70% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6EHH ic50 = 32 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
2 5MZG ic50 = 138 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
3 5MZE - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
4 6US4 ic50 = 13 nM GN6 C12 H8 Cl2 N4 c1cc(c(c(c....
5 4C9X Kd = 48 nM VHS C21 H22 Cl2 F N5 O C[C@@H](c1....
6 5ANW Kd = 0.003 uM 9CQ C18 H18 N4 O CN(C)C(=O)....
7 6F23 ic50 = 0.005 uM C8Z C17 H17 N3 c1ccc(cc1)....
8 5ANV Kd = 0.0005 uM RGJ C19 H17 Cl F N3 O3 CNC(=O)c1c....
9 4N1T ic50 = 0.8 nM 2GD C11 H10 Cl2 N4 CNc1cc(nc(....
10 6AA4 ic50 = 0.47 uM MKS C24 H26 O6 CC(=CCc1c(....
11 5WS7 - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
12 3ZR0 - 8OG C10 H14 N5 O8 P C1[C@@H]([....
13 6ILI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
14 5NGS ic50 = 170 nM 8WW C13 H13 N5 S c1ccc(cc1)....
15 6US3 ic50 = 81 nM 8JF C18 H17 N3 O Cc1cccc(c1....
16 4C9W Kd = 781 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
17 5GHJ - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
18 5GHI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
19 5NHY ic50 = 2.3 nM 8XT C15 H20 N4 O2 CCNC(=O)c1....
20 6F20 Kd = 49.5 uM C9E C10 H10 N2 O2 CCOC(=O)c1....
21 5GHQ - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
22 5ANU Kd = 0.0004 uM 58T C17 H19 N5 O4 CNc1c2c3nc....
23 4N1U ic50 = 5 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
24 6F22 ic50 = 0.002 uM C9B C16 H16 N4 O c1ccc(cc1)....
25 5FSM Kd > 40 uM N91 C10 H11 N3 O CC(=O)Nc1c....
26 5NGR ic50 = 24 uM 8WT C6 H7 N5 S CSc1[nH]c2....
27 5OTM - 6OG C11 H16 N5 O7 P COc1c2c(nc....
28 6F1X ic50 = 0.02 uM C9Q C16 H14 Cl N3 O CCNC(=O)c1....
29 5ANS ic50 = 2.056 uM RX8 C17 H22 N4 O2 CCOCc1nc2c....
30 5FSN Kd = 1.7 uM 6Q3 C8 H13 N3 O2 Cc1cc(nc(n....
31 5GHO - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
32 5FSO Kd = 0.81 uM S76 C5 H7 N3 O2 CNC1=CC(=O....
33 5FSK - H6Y C10 H16 N5 O14 P3 c1nc(c2c(n....
34 6AA5 ic50 = 0.052 uM MKU C24 H26 O6 CC(=CCc1c2....
35 5GHN - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
36 5ANT Kd = 0.44 uM RJE C16 H19 N5 O3 CNc1c2c(nc....
37 5FSI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
38 6US2 Ki = 5.2 pM S3O C18 H21 N3 O Cc1cccc(c1....
39 5GHM - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
40 5NGT - 8WZ C12 H10 N2 O2 Cc1cc(c2c(....
41 5FSL Kd = 24 uM UAN C7 H9 N5 O CNC1=Nc2c(....
42 6QVO - 6MA C11 H16 N5 O6 P CNc1c2c(nc....
43 5HZX ic50 = 2.8 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
44 5OTN - 6OG C11 H16 N5 O7 P COc1c2c(nc....
50% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6EHH ic50 = 32 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
2 5MZG ic50 = 138 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
3 5MZE - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
4 6US4 ic50 = 13 nM GN6 C12 H8 Cl2 N4 c1cc(c(c(c....
5 4C9X Kd = 48 nM VHS C21 H22 Cl2 F N5 O C[C@@H](c1....
6 5ANW Kd = 0.003 uM 9CQ C18 H18 N4 O CN(C)C(=O)....
7 6F23 ic50 = 0.005 uM C8Z C17 H17 N3 c1ccc(cc1)....
8 5ANV Kd = 0.0005 uM RGJ C19 H17 Cl F N3 O3 CNC(=O)c1c....
9 4N1T ic50 = 0.8 nM 2GD C11 H10 Cl2 N4 CNc1cc(nc(....
10 6AA4 ic50 = 0.47 uM MKS C24 H26 O6 CC(=CCc1c(....
11 5WS7 - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
12 3ZR0 - 8OG C10 H14 N5 O8 P C1[C@@H]([....
13 6ILI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
14 5NGS ic50 = 170 nM 8WW C13 H13 N5 S c1ccc(cc1)....
15 6US3 ic50 = 81 nM 8JF C18 H17 N3 O Cc1cccc(c1....
16 4C9W Kd = 781 nM VGH C21 H22 Cl2 F N5 O C[C@H](c1c....
17 5GHJ - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
18 5GHI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
19 5NHY ic50 = 2.3 nM 8XT C15 H20 N4 O2 CCNC(=O)c1....
20 6F20 Kd = 49.5 uM C9E C10 H10 N2 O2 CCOC(=O)c1....
21 5GHQ - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
22 5ANU Kd = 0.0004 uM 58T C17 H19 N5 O4 CNc1c2c3nc....
23 4N1U ic50 = 5 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
24 6F22 ic50 = 0.002 uM C9B C16 H16 N4 O c1ccc(cc1)....
25 5FSM Kd > 40 uM N91 C10 H11 N3 O CC(=O)Nc1c....
26 5NGR ic50 = 24 uM 8WT C6 H7 N5 S CSc1[nH]c2....
27 5OTM - 6OG C11 H16 N5 O7 P COc1c2c(nc....
28 6F1X ic50 = 0.02 uM C9Q C16 H14 Cl N3 O CCNC(=O)c1....
29 5ANS ic50 = 2.056 uM RX8 C17 H22 N4 O2 CCOCc1nc2c....
30 5FSN Kd = 1.7 uM 6Q3 C8 H13 N3 O2 Cc1cc(nc(n....
31 5GHO - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
32 5FSO Kd = 0.81 uM S76 C5 H7 N3 O2 CNC1=CC(=O....
33 5FSK - H6Y C10 H16 N5 O14 P3 c1nc(c2c(n....
34 6AA5 ic50 = 0.052 uM MKU C24 H26 O6 CC(=CCc1c2....
35 5GHN - 6U4 C10 H16 N5 O13 P3 C1[C@@H]([....
36 5ANT Kd = 0.44 uM RJE C16 H19 N5 O3 CNc1c2c(nc....
37 5FSI - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
38 6US2 Ki = 5.2 pM S3O C18 H21 N3 O Cc1cccc(c1....
39 5GHM - 8DG C10 H16 N5 O14 P3 C1[C@@H]([....
40 5NGT - 8WZ C12 H10 N2 O2 Cc1cc(c2c(....
41 5FSL Kd = 24 uM UAN C7 H9 N5 O CNC1=Nc2c(....
42 6QVO - 6MA C11 H16 N5 O6 P CNc1c2c(nc....
43 5HZX ic50 = 2.8 nM 2GE C13 H12 Cl2 N4 c1cc(c(c(c....
44 5OTN - 6OG C11 H16 N5 O7 P COc1c2c(nc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6Q3; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 6Q3 1 1
2 ZZ2 0.608696 0.754717
Similar Ligands (3D)
Ligand no: 1; Ligand: 6Q3; Similar ligands found: 480
No: Ligand Similarity coefficient
1 BZE 0.9622
2 XQI 0.9611
3 M1Z 0.9581
4 AX3 0.9561
5 E35 0.9551
6 YTX 0.9467
7 N7I 0.9462
8 XDK 0.9454
9 PH2 0.9447
10 EV0 0.9436
11 CIY 0.9402
12 0W1 0.9399
13 HHR 0.9392
14 R2P 0.9377
15 AS3 0.9374
16 MXD 0.9370
17 LJ3 0.9364
18 M3E 0.9352
19 B2J 0.9348
20 4XF 0.9337
21 FER 0.9325
22 MPV 0.9323
23 B4O 0.9322
24 FF2 0.9322
25 BDI 0.9313
26 P80 0.9310
27 R20 0.9296
28 55D 0.9287
29 L22 0.9278
30 DHC 0.9275
31 C9M 0.9267
32 GJK 0.9266
33 L5V 0.9266
34 HPT 0.9263
35 EGR 0.9263
36 ARP 0.9260
37 MPP 0.9256
38 LSQ 0.9247
39 GOE 0.9221
40 8NX 0.9212
41 DI6 0.9212
42 14W 0.9199
43 ZIP 0.9199
44 61M 0.9194
45 9F8 0.9193
46 JND 0.9191
47 LDP 0.9187
48 P7Y 0.9186
49 GO8 0.9185
50 HSX 0.9179
51 TZM 0.9179
52 8NB 0.9172
53 PO6 0.9168
54 263 0.9162
55 2LT 0.9156
56 4V2 0.9156
57 EOL 0.9155
58 J6W 0.9151
59 PBN 0.9145
60 2KU 0.9143
61 VXX 0.9141
62 LNR 0.9138
63 8WT 0.9133
64 3XH 0.9126
65 42J 0.9125
66 C9E 0.9122
67 MLZ 0.9120
68 KTW 0.9118
69 BNF 0.9116
70 33S 0.9115
71 MUK 0.9113
72 CFA 0.9111
73 QIV 0.9110
74 PPY 0.9109
75 JP2 0.9107
76 TCA 0.9107
77 AEH 0.9106
78 3D3 0.9103
79 AC2 0.9100
80 PBA 0.9099
81 3H2 0.9097
82 FK8 0.9091
83 ESI 0.9091
84 HL4 0.9089
85 L21 0.9088
86 1A7 0.9087
87 H7Y 0.9084
88 X0W 0.9084
89 SSM 0.9079
90 4LW 0.9079
91 X48 0.9079
92 QBM 0.9079
93 SXX 0.9077
94 HJH 0.9077
95 NYL 0.9077
96 3VX 0.9074
97 CK2 0.9066
98 H4E 0.9065
99 EYV 0.9064
100 STT 0.9063
101 PHE 0.9058
102 268 0.9055
103 XIZ 0.9055
104 7MU 0.9052
105 BG6 0.9049
106 G6P 0.9048
107 ALE 0.9047
108 PRA 0.9047
109 BP7 0.9047
110 GNW 0.9046
111 6HP 0.9042
112 ZEA 0.9041
113 ZME 0.9039
114 L99 0.9038
115 BPY 0.9037
116 CXP 0.9035
117 N91 0.9034
118 PLP 0.9028
119 HX4 0.9028
120 ABF 0.9027
121 5OO 0.9027
122 ONZ 0.9026
123 RCV 0.9026
124 SB9 0.9023
125 SNY 0.9021
126 264 0.9021
127 TB8 0.9017
128 MP5 0.9015
129 YOF 0.9014
130 2FX 0.9014
131 M6H 0.9013
132 9BF 0.9012
133 GO2 0.9012
134 3Y7 0.9012
135 CXH 0.9010
136 S8D 0.9008
137 SG2 0.9006
138 069 0.9006
139 6L6 0.9005
140 258 0.9005
141 N9J 0.9004
142 MD6 0.9002
143 ZYQ 0.8998
144 5JT 0.8994
145 MFZ 0.8988
146 MMS 0.8986
147 PMP 0.8983
148 EXD 0.8981
149 PRZ 0.8978
150 GB4 0.8977
151 B40 0.8976
152 YIP 0.8975
153 M6P 0.8975
154 LVD 0.8974
155 IOP 0.8972
156 R9Y 0.8971
157 XDE 0.8970
158 DAH 0.8970
159 N8Y 0.8968
160 TJM 0.8967
161 6J5 0.8966
162 4ME 0.8959
163 7ZL 0.8958
164 E7S 0.8955
165 3ZB 0.8954
166 7PJ 0.8954
167 EYJ 0.8953
168 ZHA 0.8952
169 S7S 0.8951
170 QH3 0.8949
171 IAC 0.8949
172 4LV 0.8947
173 TRP 0.8947
174 45L 0.8946
175 O2Y 0.8945
176 V1T 0.8945
177 N2M 0.8944
178 PH3 0.8944
179 TYR 0.8943
180 363 0.8942
181 YZM 0.8940
182 RP3 0.8938
183 4FE 0.8938
184 7VP 0.8938
185 H35 0.8937
186 XEN 0.8937
187 HCI 0.8936
188 AH9 0.8936
189 TU0 0.8936
190 J0Z 0.8934
191 GZ2 0.8932
192 I2E 0.8931
193 F4E 0.8931
194 9ZE 0.8931
195 8W9 0.8928
196 D6G 0.8927
197 HC4 0.8923
198 MBP 0.8922
199 F5C 0.8922
200 NIY 0.8922
201 O2A 0.8922
202 0NX 0.8921
203 XIY 0.8921
204 BGP 0.8920
205 ARG 0.8918
206 4R1 0.8916
207 4BY 0.8915
208 SRO 0.8913
209 URC 0.8913
210 Q5M 0.8912
211 A5P 0.8912
212 N2I 0.8910
213 6N4 0.8909
214 XRS 0.8908
215 TSS 0.8908
216 BY5 0.8905
217 QUS 0.8902
218 TZP 0.8901
219 D8Q 0.8900
220 M02 0.8899
221 F06 0.8895
222 M6D 0.8894
223 TMG 0.8894
224 3N0 0.8893
225 TOH 0.8893
226 XCG 0.8892
227 B41 0.8890
228 AZY 0.8889
229 B21 0.8888
230 APS 0.8884
231 N4B 0.8884
232 F2W 0.8883
233 D3G 0.8882
234 S60 0.8880
235 2BG 0.8879
236 LYS 0.8877
237 RGG 0.8876
238 NFA 0.8871
239 UFO 0.8869
240 0SY 0.8869
241 IYR 0.8869
242 4Z3 0.8869
243 QUB 0.8869
244 WA2 0.8867
245 FUZ 0.8865
246 PTU 0.8863
247 IL5 0.8862
248 VOH 0.8860
249 PLR 0.8859
250 PXP 0.8858
251 DTR 0.8857
252 TOM 0.8856
253 YPN 0.8856
254 FYR 0.8856
255 NAG 0.8852
256 KMY 0.8851
257 HF2 0.8850
258 4BX 0.8849
259 8TX 0.8848
260 3EB 0.8847
261 H4B 0.8845
262 1L5 0.8844
263 Y3L 0.8844
264 UN1 0.8843
265 AY4 0.8843
266 4FF 0.8838
267 EXL 0.8836
268 HBI 0.8836
269 327 0.8835
270 ZRK 0.8834
271 S2P 0.8834
272 KYN 0.8831
273 ZEC 0.8827
274 3D8 0.8824
275 ZEZ 0.8822
276 HPP 0.8818
277 EN1 0.8817
278 7R4 0.8813
279 EVF 0.8811
280 MLY 0.8810
281 3LJ 0.8808
282 NQH 0.8807
283 XI7 0.8806
284 8ZE 0.8804
285 HFA 0.8803
286 3B4 0.8798
287 EXR 0.8794
288 KG1 0.8794
289 P81 0.8793
290 LT1 0.8793
291 OSB 0.8793
292 P1J 0.8793
293 3N1 0.8792
294 JPQ 0.8791
295 HBO 0.8790
296 GF4 0.8787
297 1PS 0.8786
298 CMU 0.8786
299 EXY 0.8785
300 4ZD 0.8785
301 CTE 0.8784
302 2HC 0.8784
303 0A9 0.8783
304 AMR 0.8782
305 HVE 0.8782
306 TA6 0.8781
307 36M 0.8781
308 CX4 0.8780
309 TYE 0.8780
310 NFM 0.8780
311 KYA 0.8779
312 GLP 0.8776
313 O45 0.8775
314 SB7 0.8774
315 JOV 0.8773
316 RE4 0.8772
317 F90 0.8770
318 2D2 0.8770
319 BGU 0.8769
320 OHJ 0.8768
321 MES 0.8768
322 0XR 0.8767
323 RVE 0.8767
324 IOS 0.8766
325 3IB 0.8763
326 4Z1 0.8762
327 FHV 0.8758
328 MUX 0.8758
329 1QP 0.8756
330 GGB 0.8755
331 EMZ 0.8753
332 8IG 0.8752
333 BB4 0.8750
334 3IL 0.8749
335 795 0.8748
336 2WU 0.8748
337 K3Q 0.8746
338 HL6 0.8746
339 5WN 0.8746
340 5WT 0.8745
341 549 0.8745
342 5RP 0.8745
343 UNJ 0.8745
344 Z70 0.8741
345 5WU 0.8739
346 KDV 0.8739
347 GB5 0.8739
348 AHC 0.8739
349 4GP 0.8738
350 M3P 0.8738
351 2GQ 0.8737
352 E9S 0.8731
353 DDK 0.8730
354 IPT 0.8729
355 BCU 0.8729
356 YIH 0.8728
357 KLV 0.8727
358 92O 0.8726
359 CIR 0.8725
360 S0D 0.8725
361 A4V 0.8724
362 G30 0.8723
363 S0W 0.8723
364 3VQ 0.8720
365 12R 0.8717
366 EE8 0.8717
367 AVX 0.8716
368 EYY 0.8716
369 RA7 0.8713
370 JFJ 0.8711
371 NFZ 0.8709
372 PPT 0.8709
373 492 0.8709
374 KTJ 0.8709
375 RLG 0.8708
376 HHV 0.8708
377 9GP 0.8707
378 DTY 0.8707
379 B55 0.8706
380 XAZ 0.8706
381 6ZX 0.8705
382 ITW 0.8703
383 4Z9 0.8703
384 OOG 0.8700
385 M01 0.8700
386 GZV 0.8697
387 JCZ 0.8695
388 H2B 0.8695
389 F52 0.8694
390 1QV 0.8694
391 ZZA 0.8691
392 67Y 0.8689
393 SBK 0.8687
394 DTE 0.8687
395 4XY 0.8686
396 DLY 0.8685
397 K80 0.8684
398 X8Z 0.8684
399 BBY 0.8682
400 DDW 0.8679
401 3IP 0.8678
402 AOY 0.8678
403 QIF 0.8678
404 PFF 0.8678
405 3YP 0.8676
406 CR1 0.8675
407 5TZ 0.8674
408 7VY 0.8673
409 CG 0.8672
410 4I8 0.8668
411 4G2 0.8667
412 5O6 0.8666
413 8MP 0.8664
414 F6P 0.8663
415 PUE 0.8661
416 344 0.8661
417 CMG 0.8659
418 A7H 0.8659
419 4AB 0.8655
420 F1X 0.8655
421 S98 0.8654
422 TYC 0.8653
423 GC3 0.8653
424 L15 0.8650
425 NPI 0.8649
426 848 0.8649
427 1BW 0.8649
428 CUW 0.8648
429 8Y7 0.8647
430 4BL 0.8645
431 K97 0.8645
432 CKU 0.8643
433 7OD 0.8643
434 NBV 0.8635
435 A51 0.8635
436 NIP 0.8632
437 ONH 0.8631
438 M4E 0.8631
439 OLN 0.8627
440 5JL 0.8627
441 0OP 0.8623
442 TNX 0.8621
443 SJK 0.8616
444 75K 0.8613
445 KF5 0.8612
446 LZ5 0.8611
447 4OG 0.8610
448 NHT 0.8608
449 S7D 0.8608
450 ASE 0.8604
451 5WS 0.8603
452 ODK 0.8601
453 BQ2 0.8600
454 AJG 0.8599
455 KWB 0.8598
456 S7G 0.8598
457 7L4 0.8595
458 BTY 0.8593
459 AH6 0.8593
460 1FE 0.8593
461 BPU 0.8591
462 AEY 0.8585
463 F40 0.8585
464 X04 0.8583
465 0A1 0.8580
466 B3U 0.8579
467 D2G 0.8576
468 505 0.8575
469 N9M 0.8570
470 7C3 0.8570
471 NOK 0.8567
472 SYE 0.8567
473 SNR 0.8564
474 2LY 0.8562
475 BHS 0.8562
476 API 0.8559
477 GA2 0.8557
478 EMU 0.8552
479 5WM 0.8549
480 5JQ 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6US2; Ligand: S3O; 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: 6us2.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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