Receptor
PDB id Resolution Class Description Source Keywords
5FSM 1.67 Å EC: 3.6.1.55 MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH A METHYLBENZIMIDAZO ACETAMIDE. HOMO SAPIENS HYDROLASE NUDT1
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
DMS A:205;
A:203;
A:204;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
N91 A:202;
Valid;
none;
Kd > 40 uM
189.214 C10 H11 N3 O CC(=O...
ACT A:201;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=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: N91; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 N91 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: N91; Similar ligands found: 806
No: Ligand Similarity coefficient
1 3VX 0.9958
2 GO2 0.9720
3 Y3L 0.9716
4 QIV 0.9574
5 2K8 0.9573
6 XCG 0.9564
7 2FX 0.9550
8 MD6 0.9549
9 ZHA 0.9536
10 8NB 0.9525
11 9R5 0.9524
12 4BL 0.9521
13 E1T 0.9515
14 TMG 0.9514
15 0JD 0.9477
16 363 0.9470
17 4BY 0.9467
18 K97 0.9463
19 X0U 0.9459
20 15N 0.9446
21 P80 0.9443
22 HHS 0.9439
23 APS 0.9428
24 3VS 0.9426
25 N1E 0.9424
26 6KT 0.9421
27 3ZB 0.9415
28 M5H 0.9415
29 JBZ 0.9410
30 HA5 0.9404
31 428 0.9403
32 M78 0.9401
33 ZSP 0.9401
34 6FB 0.9400
35 SNO 0.9399
36 BGU 0.9386
37 9ZE 0.9382
38 S60 0.9378
39 BZ2 0.9376
40 FQX 0.9374
41 KYA 0.9373
42 GO8 0.9371
43 ESX 0.9368
44 8HC 0.9365
45 AN3 0.9355
46 HRM 0.9355
47 3VQ 0.9354
48 S0D 0.9353
49 ITE 0.9351
50 6NT 0.9345
51 0FK 0.9343
52 UNJ 0.9342
53 5TY 0.9340
54 ICB 0.9339
55 JB8 0.9339
56 DRG 0.9339
57 ZRK 0.9328
58 1F1 0.9324
59 0HN 0.9322
60 JCZ 0.9322
61 H4B 0.9314
62 BQ2 0.9312
63 AJG 0.9312
64 E7S 0.9311
65 X48 0.9310
66 VC3 0.9310
67 0SY 0.9304
68 2ZM 0.9303
69 4XF 0.9300
70 N2M 0.9299
71 SKF 0.9298
72 12T 0.9298
73 L22 0.9297
74 ESP 0.9293
75 BPY 0.9291
76 9NB 0.9290
77 ZYR 0.9289
78 6QF 0.9289
79 RNO 0.9289
80 LQ2 0.9288
81 TSS 0.9288
82 ZYQ 0.9286
83 B56 0.9286
84 G14 0.9283
85 JAW 0.9282
86 J6W 0.9281
87 4I8 0.9280
88 KDV 0.9278
89 GNM 0.9277
90 N2I 0.9277
91 KMY 0.9273
92 FER 0.9267
93 F4E 0.9267
94 PH2 0.9267
95 92P 0.9265
96 PPY 0.9264
97 2HU 0.9263
98 4NB 0.9257
99 IOP 0.9257
100 30G 0.9256
101 BIO 0.9255
102 LL1 0.9254
103 S98 0.9254
104 FF2 0.9251
105 GJP 0.9249
106 FZM 0.9247
107 5V7 0.9246
108 BZJ 0.9246
109 DHC 0.9246
110 344 0.9245
111 3NY 0.9245
112 AMR 0.9244
113 HC4 0.9242
114 0HO 0.9236
115 5NI 0.9235
116 4NP 0.9232
117 2HC 0.9232
118 8ZE 0.9230
119 HBI 0.9230
120 2WU 0.9227
121 4BZ 0.9225
122 V1T 0.9225
123 ALE 0.9224
124 ANC 0.9224
125 7O4 0.9223
126 BP7 0.9222
127 6NI 0.9222
128 7MW 0.9218
129 JP2 0.9215
130 AZM 0.9214
131 CXH 0.9213
132 4NS 0.9212
133 THA 0.9212
134 8XL 0.9210
135 TSR 0.9210
136 27B 0.9209
137 JDN 0.9208
138 5XC 0.9204
139 9FE 0.9202
140 ZEC 0.9200
141 M4E 0.9199
142 TCA 0.9197
143 EVF 0.9195
144 ZZA 0.9194
145 N7I 0.9194
146 3QV 0.9193
147 PNP 0.9189
148 VXX 0.9187
149 657 0.9184
150 HNT 0.9183
151 4KL 0.9183
152 0FR 0.9179
153 7MX 0.9176
154 HHR 0.9176
155 GZ2 0.9173
156 CH9 0.9170
157 3R4 0.9169
158 4RU 0.9169
159 PRL 0.9168
160 8NX 0.9165
161 TCR 0.9163
162 4MB 0.9160
163 IAC 0.9159
164 1VK 0.9159
165 ARP 0.9158
166 B41 0.9158
167 68A 0.9157
168 3A9 0.9157
169 AA 0.9157
170 N0Z 0.9156
171 LDP 0.9155
172 ANF 0.9155
173 2GQ 0.9153
174 2P3 0.9152
175 SLS 0.9152
176 1FE 0.9151
177 EE8 0.9149
178 4FE 0.9148
179 XI7 0.9147
180 4WL 0.9146
181 54X 0.9146
182 1HN 0.9145
183 4NZ 0.9145
184 AES 0.9145
185 PEY 0.9143
186 I2E 0.9142
187 FHV 0.9142
188 IOS 0.9142
189 S0E 0.9142
190 PO6 0.9141
191 MAJ 0.9140
192 LVD 0.9140
193 QME 0.9140
194 JG8 0.9137
195 KLS 0.9133
196 PNZ 0.9129
197 CIY 0.9128
198 15E 0.9128
199 K7H 0.9126
200 ABI 0.9125
201 MSR 0.9124
202 PLP 0.9123
203 ODK 0.9123
204 CK2 0.9121
205 4BX 0.9120
206 P81 0.9120
207 9CA 0.9120
208 OQC 0.9119
209 MPV 0.9117
210 L14 0.9117
211 3AE 0.9117
212 BZE 0.9117
213 CHQ 0.9116
214 6FZ 0.9116
215 A7H 0.9116
216 NAG 0.9115
217 4FF 0.9114
218 5LA 0.9113
219 HBO 0.9112
220 DNF 0.9112
221 ZON 0.9111
222 SYE 0.9110
223 ANN 0.9110
224 RSV 0.9110
225 EN1 0.9108
226 9UL 0.9108
227 0W1 0.9107
228 AAN 0.9105
229 549 0.9104
230 4LW 0.9101
231 KF5 0.9101
232 XIZ 0.9100
233 ESI 0.9098
234 F02 0.9097
235 S7J 0.9097
236 FYR 0.9096
237 KTW 0.9096
238 4V2 0.9095
239 RCV 0.9095
240 LR8 0.9094
241 4AB 0.9093
242 FBF 0.9092
243 5OB 0.9092
244 DEW 0.9091
245 1IT 0.9090
246 GVY 0.9085
247 CKA 0.9084
248 QBP 0.9081
249 TRP 0.9076
250 AOT 0.9074
251 M6Z 0.9074
252 9FL 0.9073
253 5E5 0.9073
254 H2B 0.9073
255 KLV 0.9072
256 3J8 0.9071
257 2QC 0.9070
258 BZ3 0.9068
259 N8Y 0.9068
260 CTE 0.9068
261 4CM 0.9067
262 61M 0.9066
263 EYV 0.9066
264 4CN 0.9064
265 1DR 0.9064
266 DNA 0.9061
267 F5C 0.9060
268 H4E 0.9058
269 R9Y 0.9057
270 DAH 0.9052
271 FDR 0.9050
272 EUE 0.9050
273 LR5 0.9050
274 AJ1 0.9048
275 F9Y 0.9048
276 EV2 0.9046
277 JAH 0.9045
278 XDK 0.9045
279 7EH 0.9045
280 MP5 0.9044
281 LSQ 0.9044
282 5F5 0.9044
283 YE7 0.9043
284 I3E 0.9042
285 14W 0.9041
286 GJK 0.9040
287 5GV 0.9040
288 VM1 0.9036
289 KTJ 0.9035
290 PIQ 0.9035
291 6Q3 0.9034
292 K82 0.9033
293 GOE 0.9032
294 PJW 0.9031
295 PLR 0.9029
296 MUX 0.9029
297 A5P 0.9029
298 42J 0.9028
299 2O6 0.9027
300 3D3 0.9027
301 BL0 0.9026
302 CPZ 0.9026
303 0OK 0.9025
304 3XH 0.9024
305 2D2 0.9024
306 LUM 0.9023
307 C2Y 0.9022
308 PMP 0.9022
309 0UL 0.9022
310 GDL 0.9021
311 2BG 0.9020
312 YIP 0.9020
313 TOH 0.9019
314 C82 0.9019
315 8U3 0.9019
316 SRO 0.9016
317 1QP 0.9016
318 7AP 0.9015
319 H7Y 0.9015
320 BIK 0.9013
321 833 0.9011
322 78Y 0.9011
323 LZ5 0.9010
324 FCD 0.9010
325 1M2 0.9009
326 E3X 0.9008
327 NDG 0.9006
328 FHC 0.9006
329 DXK 0.9005
330 1A7 0.9005
331 AM4 0.9005
332 MQN 0.9004
333 N4E 0.9002
334 MFZ 0.9001
335 W81 0.9000
336 ICO 0.8999
337 4HB 0.8997
338 SG2 0.8997
339 2LY 0.8995
340 1QV 0.8994
341 4AU 0.8994
342 QMS 0.8993
343 JF1 0.8991
344 6N4 0.8990
345 EWG 0.8987
346 47V 0.8985
347 AMH 0.8982
348 CNI 0.8982
349 6RQ 0.8981
350 5GT 0.8980
351 A5E 0.8980
352 SNU 0.8979
353 TZF 0.8978
354 9BF 0.8976
355 6TZ 0.8975
356 D8Q 0.8975
357 XIY 0.8974
358 G6P 0.8974
359 5VU 0.8974
360 0TU 0.8973
361 F40 0.8972
362 YTX 0.8971
363 F4K 0.8971
364 A7N 0.8971
365 TYL 0.8970
366 1ZC 0.8968
367 YE6 0.8967
368 8W9 0.8967
369 36E 0.8965
370 NFM 0.8965
371 1L5 0.8965
372 F2W 0.8963
373 TYR 0.8962
374 1PS 0.8962
375 R20 0.8961
376 ENO 0.8960
377 HPP 0.8959
378 H5B 0.8958
379 8D6 0.8956
380 0F9 0.8955
381 5WT 0.8955
382 K4V 0.8953
383 2JX 0.8952
384 GF4 0.8952
385 E5X 0.8950
386 JMG 0.8949
387 4NM 0.8948
388 5SJ 0.8947
389 YZM 0.8947
390 6MW 0.8947
391 0NX 0.8946
392 J9Q 0.8946
393 5OO 0.8943
394 SJK 0.8943
395 C53 0.8942
396 RKV 0.8941
397 3XR 0.8940
398 BPU 0.8940
399 ZME 0.8939
400 94W 0.8938
401 MXD 0.8938
402 CFA 0.8937
403 EXD 0.8935
404 8WT 0.8934
405 BHS 0.8934
406 3Y7 0.8934
407 8MO 0.8933
408 B21 0.8932
409 5DL 0.8932
410 B4O 0.8932
411 MZM 0.8931
412 BPN 0.8930
413 HX4 0.8930
414 2J1 0.8929
415 DTR 0.8928
416 4TU 0.8928
417 5H6 0.8927
418 OW7 0.8926
419 LNR 0.8925
420 OLU 0.8923
421 6SD 0.8923
422 HJ7 0.8920
423 259 0.8918
424 MPP 0.8918
425 2PV 0.8916
426 NDD 0.8916
427 CWJ 0.8915
428 0BP 0.8915
429 PLP PMP 0.8913
430 X0W 0.8912
431 DPT 0.8911
432 ZRL 0.8911
433 5RP 0.8910
434 2JK 0.8910
435 6L6 0.8910
436 5TZ 0.8910
437 PUE 0.8909
438 BA5 0.8908
439 4JQ 0.8908
440 LOT 0.8906
441 A5H 0.8904
442 A6W 0.8904
443 A5Q 0.8902
444 7FU 0.8902
445 3W8 0.8902
446 P7Y 0.8902
447 S0W 0.8902
448 E1K 0.8901
449 TXW 0.8900
450 2PK 0.8900
451 JF2 0.8900
452 6VD 0.8900
453 NRA 0.8899
454 4ME 0.8898
455 4YO 0.8898
456 2FQ 0.8897
457 HRD 0.8896
458 5B2 0.8892
459 4LV 0.8892
460 K25 0.8892
461 B1J 0.8890
462 92G 0.8890
463 C9M 0.8889
464 3D8 0.8888
465 92O 0.8888
466 6HP 0.8887
467 27K 0.8886
468 C4E 0.8884
469 JLZ 0.8884
470 97T 0.8883
471 DK1 0.8882
472 A29 0.8882
473 INO 0.8882
474 PHE 0.8881
475 5WN 0.8881
476 4Z9 0.8879
477 L03 0.8879
478 MS9 0.8879
479 MR6 0.8879
480 PQM 0.8877
481 4ZA 0.8876
482 S7S 0.8876
483 HCI 0.8876
484 4JE 0.8875
485 DHB 0.8875
486 FUD 0.8874
487 BNL 0.8874
488 IWT 0.8872
489 AJY 0.8869
490 TID 0.8868
491 LTN 0.8866
492 4P5 0.8866
493 LEL 0.8865
494 3W6 0.8865
495 3W3 0.8865
496 6ZW 0.8864
497 795 0.8863
498 HQJ 0.8862
499 NNO 0.8862
500 J38 0.8860
501 4R1 0.8858
502 YZ9 0.8858
503 TJM 0.8857
504 5F8 0.8856
505 RYV 0.8856
506 OOG 0.8856
507 CC5 0.8855
508 JA5 0.8854
509 P9E 0.8853
510 AY4 0.8851
511 DQU 0.8851
512 AP6 0.8850
513 AH9 0.8848
514 BG6 0.8847
515 SWX 0.8846
516 3SU 0.8845
517 2UD 0.8845
518 5RO 0.8844
519 J1K 0.8843
520 LJ3 0.8843
521 GB5 0.8842
522 7L4 0.8840
523 JTA 0.8840
524 AEH 0.8838
525 0DF 0.8838
526 M6P 0.8837
527 36Y 0.8837
528 1Z6 0.8837
529 ENW 0.8837
530 D3G 0.8834
531 6P3 0.8833
532 AVX 0.8833
533 GB4 0.8832
534 OTR 0.8831
535 VUP 0.8831
536 C9E 0.8828
537 II4 0.8827
538 DVQ 0.8827
539 DTY 0.8826
540 L5V 0.8824
541 TT4 0.8822
542 5NN 0.8822
543 MR1 0.8820
544 8WO 0.8820
545 4GU 0.8819
546 BGP 0.8818
547 FBB 0.8811
548 Z21 0.8811
549 GNY 0.8809
550 KLE 0.8809
551 22L 0.8808
552 IBP 0.8807
553 PXP 0.8806
554 OHJ 0.8806
555 1EB 0.8806
556 6J5 0.8804
557 HSX 0.8803
558 VFG 0.8803
559 KJU 0.8802
560 3VW 0.8802
561 ONR 0.8800
562 A6P 0.8799
563 IL5 0.8798
564 EQA 0.8798
565 2FY 0.8798
566 DHY 0.8796
567 4A3 0.8795
568 5TT 0.8789
569 LO1 0.8789
570 D48 0.8788
571 28A 0.8786
572 WA1 0.8786
573 R2P 0.8785
574 36M 0.8784
575 4FA 0.8781
576 JND 0.8781
577 GNV 0.8779
578 M4S 0.8779
579 5ER 0.8778
580 HIS 0.8778
581 Z13 0.8777
582 IYR 0.8776
583 FWD 0.8776
584 5GU 0.8776
585 CSN 0.8776
586 6ME 0.8775
587 3PF 0.8774
588 DNQ 0.8774
589 ZIP 0.8773
590 KP2 0.8773
591 88L 0.8771
592 D9Z 0.8771
593 WS7 0.8770
594 DE5 0.8770
595 PZP 0.8770
596 0FN 0.8769
597 STT 0.8769
598 LFN 0.8768
599 RP3 0.8767
600 NQH 0.8765
601 KW8 0.8758
602 1AJ 0.8758
603 0F3 0.8757
604 3HM 0.8757
605 P4L 0.8754
606 GZV 0.8754
607 L2K 0.8754
608 209 0.8750
609 0FO 0.8750
610 6C5 0.8749
611 HHI 0.8749
612 80G 0.8749
613 ET0 0.8748
614 KYN 0.8747
615 DHR 0.8747
616 537 0.8745
617 M83 0.8744
618 TGX 0.8744
619 YPN 0.8744
620 BNX 0.8744
621 X11 0.8743
622 7PJ 0.8741
623 DDU 0.8741
624 5OR 0.8740
625 MR4 0.8739
626 JXK 0.8739
627 PQ0 0.8739
628 ZEA 0.8739
629 56D 0.8739
630 A73 0.8738
631 52F 0.8737
632 TU0 0.8737
633 1KP 0.8737
634 RVE 0.8736
635 DT7 0.8735
636 4NC 0.8734
637 2HO 0.8734
638 MRW 0.8734
639 BVA 0.8734
640 LR2 0.8732
641 JGB 0.8732
642 3N1 0.8731
643 PH3 0.8730
644 AJV 0.8729
645 A2G 0.8729
646 3C4 0.8728
647 0XR 0.8727
648 7VP 0.8726
649 ABF 0.8725
650 GLP 0.8724
651 DBS 0.8721
652 X04 0.8719
653 AX3 0.8719
654 PIM 0.8719
655 NFZ 0.8718
656 5RN 0.8717
657 0LO 0.8716
658 9JT 0.8716
659 YRL 0.8715
660 397 0.8715
661 D6G 0.8714
662 WV7 0.8714
663 ZYX 0.8712
664 EZL 0.8711
665 7ZL 0.8710
666 NPA 0.8708
667 K2T 0.8708
668 RGK 0.8707
669 NGA 0.8707
670 NIY 0.8705
671 1BW 0.8705
672 UFO 0.8704
673 268 0.8700
674 GWM 0.8699
675 SSC 0.8697
676 HL4 0.8697
677 9KZ 0.8696
678 ARG 0.8694
679 OTW 0.8694
680 FMQ 0.8694
681 LGT 0.8694
682 G3E 0.8694
683 GC2 0.8693
684 RA7 0.8692
685 IDZ 0.8692
686 5FL 0.8691
687 1V1 0.8691
688 CG 0.8689
689 CX6 0.8689
690 SN4 0.8689
691 J5I 0.8688
692 K3Q 0.8688
693 MVN 0.8688
694 EQW 0.8687
695 EMZ 0.8686
696 4JC 0.8684
697 CWD 0.8684
698 7MU 0.8684
699 0N7 0.8681
700 WLH 0.8679
701 492 0.8679
702 X0T 0.8678
703 JA8 0.8674
704 THM 0.8672
705 TZP 0.8672
706 26C 0.8672
707 9FH 0.8670
708 2BX 0.8669
709 3D1 0.8668
710 2QU 0.8666
711 SE2 0.8666
712 GHM 0.8664
713 VGD 0.8663
714 JWS 0.8663
715 PBN 0.8662
716 DEZ 0.8662
717 AC2 0.8662
718 URO 0.8662
719 5LD 0.8659
720 V2Z 0.8657
721 39Z 0.8656
722 9CE 0.8655
723 5AD 0.8654
724 CLW 0.8654
725 JYT 0.8651
726 DPN 0.8651
727 4UM 0.8648
728 NFA 0.8648
729 6DQ 0.8647
730 ES2 0.8647
731 PRA 0.8645
732 MUK 0.8645
733 6H2 0.8645
734 Y0V 0.8645
735 78U 0.8642
736 OA1 0.8642
737 EES 0.8642
738 SYV 0.8641
739 1XS 0.8640
740 8Y7 0.8638
741 BWD 0.8638
742 8V8 0.8637
743 5VM 0.8635
744 Z82 0.8635
745 4G2 0.8633
746 UAN 0.8632
747 J9N 0.8629
748 TWO 0.8628
749 B23 0.8628
750 K44 0.8627
751 8CC 0.8625
752 PBA 0.8624
753 QR2 0.8622
754 55D 0.8619
755 A51 0.8613
756 DEE 0.8613
757 25F 0.8611
758 U13 0.8611
759 HFA 0.8610
760 ET2 0.8607
761 XRS 0.8605
762 4MU 0.8601
763 8TX 0.8599
764 36R 0.8591
765 8IG 0.8590
766 JF8 0.8589
767 GI3 0.8586
768 QMR 0.8586
769 50C 0.8584
770 069 0.8584
771 MPK 0.8583
772 20D 0.8582
773 2QV 0.8581
774 SB7 0.8581
775 TR4 0.8581
776 S0G 0.8578
777 86L 0.8572
778 W29 0.8572
779 SNG 0.8568
780 4AA 0.8568
781 6C9 0.8567
782 S0A 0.8567
783 GF1 0.8567
784 F1X 0.8564
785 FTV 0.8564
786 BBK 0.8564
787 B0K 0.8563
788 UAY 0.8563
789 L1T 0.8563
790 IPD 0.8560
791 BY5 0.8558
792 DFL 0.8556
793 TIA 0.8556
794 J9T 0.8553
795 HWD 0.8548
796 GXD 0.8545
797 I4D 0.8544
798 E9S 0.8543
799 505 0.8538
800 BHQ 0.8536
801 NPS 0.8534
802 URC 0.8522
803 9H2 0.8517
804 5TO 0.8515
805 DIN 0.8512
806 BNF 0.8512
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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