Receptor
PDB id Resolution Class Description Source Keywords
5FSO 1.67 Å EC: 3.6.1.55 MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH A METHYLAMINOPYRIMI 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
ACT A:1157;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
DMS A:1160;
A:1159;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
S76 A:1158;
Valid;
none;
Kd = 0.81 uM
141.128 C5 H7 N3 O2 CNC1=...
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: S76; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 S76 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: S76; Similar ligands found: 1010
No: Ligand Similarity coefficient
1 2A7 1.0000
2 ZZ3 0.9888
3 OXC 0.9777
4 ORO 0.9776
5 AW5 0.9772
6 2ZX 0.9770
7 34D 0.9759
8 6UA 0.9726
9 13X 0.9719
10 AS3 0.9702
11 DOR 0.9702
12 3AY 0.9697
13 AX2 0.9692
14 WDL 0.9684
15 EV0 0.9683
16 5ZE 0.9683
17 BR8 0.9677
18 ERH 0.9661
19 5AN 0.9630
20 9DG 0.9619
21 2DR 0.9588
22 XAN 0.9573
23 AZA 0.9565
24 D1X 0.9562
25 GUN 0.9558
26 TCZ 0.9551
27 G3F 0.9549
28 Q88 0.9538
29 P3K 0.9537
30 R8S 0.9535
31 URC 0.9534
32 II6 0.9532
33 BGC 0.9527
34 GCS 0.9524
35 23A 0.9518
36 7MH 0.9517
37 B55 0.9515
38 CWM 0.9511
39 A2F 0.9507
40 BOA 0.9507
41 BTY 0.9505
42 YH7 0.9500
43 CFP 0.9498
44 ES0 0.9496
45 JIF 0.9495
46 JZ3 0.9495
47 8S0 0.9493
48 6AP 0.9489
49 IGA 0.9486
50 BTE 0.9484
51 141 0.9480
52 AZG 0.9479
53 1XM 0.9478
54 290 0.9476
55 T6C 0.9476
56 XAZ 0.9475
57 3Z7 0.9474
58 8TX 0.9473
59 10L 0.9472
60 35C 0.9472
61 AUD 0.9472
62 0CU 0.9469
63 7HP 0.9468
64 1XN 0.9463
65 75K 0.9463
66 UNC 0.9459
67 6GU 0.9455
68 12M 0.9455
69 3AB 0.9449
70 XQG 0.9447
71 FOT 0.9445
72 9HX 0.9441
73 47J 0.9441
74 5JL 0.9438
75 FYU 0.9438
76 HPA 0.9433
77 V55 0.9431
78 261 0.9428
79 ADE 0.9428
80 5JQ 0.9427
81 7WA 0.9423
82 2D0 0.9419
83 C2A 0.9417
84 DFB 0.9417
85 3HB 0.9415
86 9DA 0.9413
87 GAB 0.9413
88 8IG 0.9412
89 DX4 0.9411
90 IJZ 0.9409
91 F0J 0.9409
92 FP1 0.9403
93 BMA 0.9402
94 4XV 0.9400
95 GLC 0.9399
96 4CS 0.9398
97 8GC 0.9396
98 B2J 0.9396
99 GDE 0.9395
100 TBP 0.9394
101 BCP 0.9388
102 CRS 0.9387
103 42C 0.9383
104 2AL 0.9383
105 Q6T 0.9382
106 HGQ 0.9382
107 27Y 0.9380
108 GAL 0.9380
109 KT7 0.9377
110 7NI 0.9376
111 NMJ 0.9376
112 5HN 0.9376
113 HMH 0.9376
114 M1E 0.9375
115 DHK 0.9373
116 AKH 0.9372
117 3MA 0.9364
118 3NT 0.9361
119 KIB 0.9359
120 ADK 0.9358
121 HJP 0.9357
122 6MP 0.9356
123 OVV 0.9355
124 3M0 0.9353
125 4XS 0.9349
126 PM6 0.9348
127 C2U 0.9345
128 ES4 0.9344
129 AHR 0.9344
130 53C 0.9343
131 QOS 0.9339
132 A1U 0.9339
133 OVM 0.9339
134 9MG 0.9337
135 HH5 0.9336
136 URA 0.9335
137 284 0.9335
138 4CL 0.9333
139 ZZT 0.9331
140 IPZ 0.9330
141 R8A 0.9327
142 MCT 0.9325
143 NOJ 0.9325
144 3MB 0.9324
145 3XX 0.9324
146 XYP 0.9323
147 KIA 0.9320
148 IFM 0.9320
149 Q24 0.9318
150 4JJ 0.9318
151 2AC 0.9317
152 J9W 0.9314
153 MZG 0.9314
154 GIF 0.9314
155 M6N 0.9313
156 M2H 0.9312
157 CIG 0.9312
158 MEW 0.9312
159 B3R 0.9311
160 BR9 0.9309
161 AMC 0.9309
162 3HA 0.9307
163 AJ2 0.9307
164 RCO 0.9306
165 3BZ 0.9303
166 URF 0.9303
167 HHQ 0.9302
168 ICP 0.9302
169 2H5 0.9302
170 WCE 0.9301
171 MWJ 0.9301
172 NK 0.9299
173 JZ2 0.9298
174 3CH 0.9298
175 4HC 0.9296
176 2FG 0.9296
177 N5J 0.9295
178 JBK 0.9294
179 AQO 0.9293
180 DBH 0.9293
181 4ZE 0.9288
182 JFJ 0.9288
183 A13 0.9287
184 HEW 0.9287
185 1LQ 0.9287
186 FGZ 0.9286
187 4M4 0.9286
188 M5K 0.9285
189 AZ8 0.9284
190 F81 0.9284
191 2LP 0.9283
192 SWD 0.9283
193 26D 0.9283
194 3OC 0.9283
195 XYD 0.9282
196 5IQ 0.9281
197 4H2 0.9281
198 JPZ 0.9278
199 5SG 0.9277
200 FE DB1 0.9277
201 LGC 0.9276
202 LYL 0.9275
203 EUG 0.9273
204 MWM 0.9273
205 XBZ 0.9272
206 54G 0.9272
207 LG5 0.9271
208 4XR 0.9271
209 ES1 0.9270
210 BP1 0.9270
211 5M0 0.9269
212 PE0 0.9268
213 FBU 0.9268
214 JBH 0.9265
215 M3T 0.9265
216 4YS 0.9265
217 TM7 0.9265
218 5MK 0.9263
219 WBU 0.9262
220 4HO 0.9262
221 BVF 0.9262
222 GLA 0.9261
223 GIV 0.9256
224 5Q0 0.9255
225 GTQ 0.9254
226 34A 0.9253
227 AZF 0.9253
228 4ZC 0.9251
229 HQY 0.9251
230 1NP 0.9249
231 5JC 0.9248
232 1LM 0.9248
233 3F0 0.9248
234 PYD 0.9246
235 G4D 0.9245
236 LG3 0.9244
237 0R0 0.9244
238 AGK 0.9244
239 149 0.9243
240 HMU 0.9243
241 JFD 0.9241
242 5RG 0.9241
243 7B4 0.9240
244 2MP 0.9238
245 SYN 0.9238
246 CYT 0.9237
247 KOJ 0.9236
248 DIE 0.9235
249 8GF 0.9234
250 BRT 0.9233
251 OXZ 0.9233
252 1SQ 0.9232
253 3AL 0.9231
254 HT4 0.9230
255 286 0.9230
256 TDR 0.9228
257 DRL 0.9226
258 PYG 0.9226
259 1GN 0.9226
260 3CE 0.9225
261 O72 0.9224
262 HBX 0.9221
263 7HQ 0.9221
264 282 0.9219
265 SX1 0.9218
266 1MC 0.9215
267 IDH 0.9215
268 1DW 0.9209
269 DUB 0.9205
270 FUL 0.9204
271 PYF 0.9201
272 6CS 0.9201
273 5NU 0.9198
274 MO8 0.9197
275 QSH 0.9196
276 GBD 0.9196
277 2YU 0.9194
278 NBE 0.9193
279 G6D 0.9191
280 2CM 0.9189
281 PXL 0.9189
282 6MH 0.9186
283 3IT 0.9186
284 25W 0.9185
285 M1Q 0.9184
286 AX3 0.9180
287 GAG 0.9179
288 24W 0.9179
289 FPI 0.9178
290 Y8I 0.9176
291 I3A 0.9175
292 HX3 0.9174
293 MAN 0.9173
294 MBD 0.9172
295 TZE 0.9171
296 A7W 0.9166
297 2MY 0.9164
298 BE2 0.9163
299 ES6 0.9162
300 MBG 0.9159
301 43M 0.9156
302 2C9 0.9155
303 ZWZ 0.9155
304 HH8 0.9154
305 4XH 0.9154
306 4HM 0.9151
307 H76 0.9150
308 BEZ 0.9148
309 OXQ 0.9146
310 VNL 0.9146
311 FA0 0.9144
312 MJ2 0.9144
313 5AC 0.9143
314 5MH 0.9142
315 GIO 0.9142
316 RSO 0.9141
317 5UC 0.9140
318 5CU 0.9140
319 H3M 0.9139
320 285 0.9139
321 BHA 0.9137
322 PZI 0.9137
323 DOB 0.9136
324 DIU 0.9136
325 GLY PRO 0.9136
326 QPR 0.9135
327 3DM 0.9134
328 ABN 0.9133
329 APZ 0.9130
330 TH0 0.9130
331 4M0 0.9129
332 DIN 0.9129
333 7WR 0.9128
334 GYE 0.9128
335 4ME 0.9127
336 SAL 0.9127
337 UEG 0.9127
338 SHG 0.9126
339 SVN 0.9125
340 MRW 0.9122
341 VOH 0.9120
342 HHA 0.9120
343 4A3 0.9119
344 495 0.9119
345 RIB 0.9117
346 BEN 0.9116
347 KBG 0.9115
348 9EW 0.9114
349 82I 0.9112
350 MT0 0.9111
351 ADZ 0.9109
352 94N 0.9109
353 GMN 0.9109
354 UNU 0.9109
355 3FA 0.9108
356 F5B 0.9107
357 J9T 0.9107
358 6PC 0.9107
359 DUC 0.9105
360 23W 0.9104
361 9TZ 0.9103
362 NIO 0.9103
363 BDP 0.9102
364 51F 0.9101
365 FFP 0.9100
366 R8V 0.9100
367 D07 0.9093
368 X6X 0.9093
369 PDC 0.9092
370 NCA 0.9092
371 3U4 0.9090
372 1WD 0.9090
373 1MR 0.9090
374 APY 0.9090
375 OMD 0.9089
376 XXR 0.9088
377 F12 0.9087
378 GCU 0.9087
379 FLM 0.9085
380 7VS 0.9085
381 PYJ 0.9085
382 JZ4 0.9085
383 SKM 0.9083
384 PBC 0.9082
385 TM4 0.9080
386 FCB 0.9077
387 QAT 0.9076
388 DHB 0.9076
389 GJS 0.9076
390 4JO 0.9074
391 TLD 0.9074
392 FAN 0.9074
393 4SV 0.9074
394 GM7 0.9073
395 3HM 0.9072
396 P9P 0.9072
397 XQ0 0.9071
398 4NC 0.9070
399 XX2 0.9070
400 PZA 0.9069
401 LSA 0.9067
402 BZX 0.9067
403 069 0.9067
404 GV9 0.9065
405 JKE 0.9065
406 HLZ 0.9065
407 270 0.9064
408 EVA 0.9064
409 HLR 0.9063
410 LXC 0.9063
411 GTR 0.9062
412 ZZ8 0.9060
413 MYJ 0.9059
414 93K 0.9059
415 HZQ 0.9058
416 NBZ 0.9058
417 CWS 0.9057
418 CXF 0.9057
419 NNO 0.9056
420 NCD 0.9056
421 FHB 0.9054
422 329 0.9053
423 0P6 0.9053
424 6OT 0.9053
425 2HO 0.9051
426 5HY 0.9051
427 67N 0.9049
428 RSF 0.9047
429 BAM 0.9046
430 12B 0.9045
431 F05 0.9045
432 60P 0.9045
433 7WV 0.9044
434 GZ8 0.9044
435 1PT 0.9044
436 3MC 0.9043
437 9CL 0.9043
438 PA1 0.9043
439 NTM 0.9042
440 VNJ 0.9042
441 P92 0.9040
442 3MG 0.9039
443 YSO 0.9038
444 1P3 0.9038
445 YIO 0.9037
446 IP0 0.9037
447 LZM 0.9036
448 6AI 0.9036
449 AX7 0.9034
450 FUC 0.9034
451 INO 0.9033
452 8WT 0.9032
453 PHT 0.9030
454 TFU 0.9027
455 VGL 0.9026
456 KUF 0.9024
457 9TW 0.9024
458 M1A 0.9023
459 JLZ 0.9023
460 GXL 0.9023
461 6LW 0.9022
462 MFB 0.9021
463 15L 0.9019
464 24B 0.9019
465 2MI 0.9017
466 G2F 0.9017
467 HPY 0.9016
468 KLW 0.9015
469 MUA 0.9015
470 FA3 0.9015
471 QBK 0.9014
472 PRZ 0.9012
473 2XX 0.9011
474 9KH 0.9011
475 51R 0.9010
476 FUF 0.9009
477 URQ 0.9009
478 GCB 0.9009
479 PFB 0.9008
480 JZ1 0.9008
481 1P7 0.9007
482 QAS 0.9005
483 8CM 0.9005
484 NIZ 0.9005
485 IV2 0.9004
486 5WX 0.9004
487 DGJ 0.9003
488 O7U 0.9002
489 2A9 0.8999
490 3ID 0.8998
491 SHA 0.8995
492 278 0.8995
493 YCP 0.8995
494 GLY CYS 0.8995
495 CHB 0.8992
496 0RW 0.8992
497 JTH 0.8992
498 EA1 0.8991
499 JND 0.8991
500 RM4 0.8991
501 FBW 0.8990
502 PY7 0.8990
503 ES9 0.8989
504 HY1 0.8989
505 EXO 0.8988
506 HLD 0.8987
507 FDB 0.8987
508 HQD 0.8986
509 OW4 0.8986
510 SF9 0.8986
511 2ZQ 0.8984
512 5OB 0.8983
513 FRU 0.8982
514 XCZ 0.8981
515 IUR 0.8981
516 3SK 0.8980
517 JBE 0.8978
518 YQA 0.8978
519 5MB 0.8976
520 LMR 0.8976
521 B24 0.8976
522 DMJ 0.8974
523 5RN 0.8974
524 3MH 0.8971
525 5MI 0.8969
526 7MU 0.8968
527 NTN 0.8968
528 SJ5 0.8967
529 FPK 0.8967
530 5XC 0.8966
531 LDP 0.8966
532 UAN 0.8965
533 RNS 0.8965
534 AIN 0.8965
535 GVH 0.8963
536 FDK 0.8963
537 GAF 0.8962
538 SXS 0.8961
539 B53 0.8959
540 HY3 0.8959
541 SS2 0.8959
542 AZ9 0.8958
543 5WY 0.8958
544 0FO 0.8958
545 PEA 0.8958
546 6M9 0.8956
547 TWO 0.8956
548 4MU 0.8956
549 OVP 0.8956
550 QSB 0.8955
551 0GZ 0.8955
552 M1H 0.8955
553 IFL 0.8955
554 Z6J 0.8954
555 BZ3 0.8953
556 M0W 0.8953
557 DQA 0.8951
558 CIZ 0.8951
559 DBJ 0.8949
560 5B1 0.8948
561 8WO 0.8947
562 6M4 0.8947
563 3Z8 0.8947
564 0R1 0.8946
565 11S 0.8946
566 SR1 0.8946
567 AC0 0.8945
568 H4N 0.8944
569 SS1 0.8944
570 MFU 0.8943
571 PEL 0.8943
572 4JP 0.8942
573 8H8 0.8941
574 5H1 0.8941
575 NOY 0.8939
576 FPY 0.8937
577 LZ1 0.8935
578 280 0.8935
579 RXA 0.8935
580 ASP 0.8935
581 M0Q 0.8934
582 ICO 0.8934
583 QX4 0.8934
584 INE 0.8932
585 V6F 0.8932
586 42A 0.8931
587 SOE 0.8931
588 QWW 0.8930
589 ABV 0.8930
590 4AA 0.8929
591 7ZE 0.8929
592 39A 0.8929
593 14O 0.8928
594 NEQ 0.8928
595 2K4 0.8927
596 1LN 0.8927
597 1AL 0.8924
598 ET2 0.8921
599 ASO 0.8920
600 F60 0.8917
601 RM1 0.8917
602 SWA 0.8917
603 IF7 0.8916
604 BZI 0.8915
605 LCN 0.8915
606 IDM 0.8914
607 0W8 0.8914
608 1P8 0.8913
609 IND 0.8911
610 2MN 0.8911
611 0N7 0.8910
612 FK1 0.8910
613 IHB 0.8909
614 BSX 0.8906
615 LKA 0.8906
616 BZF 0.8905
617 5VM 0.8904
618 36R 0.8904
619 QX2 0.8904
620 DQU 0.8904
621 TRA 0.8904
622 MSN 0.8904
623 AMG 0.8904
624 M58 0.8903
625 NID 0.8902
626 XM0 0.8901
627 TRC 0.8900
628 VGD 0.8899
629 DEN 0.8899
630 N8P 0.8897
631 0MK 0.8896
632 MPI 0.8895
633 FH2 0.8892
634 XYS 0.8892
635 O2A 0.8892
636 42J 0.8890
637 COU 0.8889
638 NQ 0.8888
639 DFU 0.8887
640 ES2 0.8886
641 EMZ 0.8886
642 CLW 0.8884
643 G5V 0.8884
644 64K 0.8884
645 K5W 0.8883
646 B62 0.8881
647 TPA 0.8881
648 TEP 0.8880
649 0CT 0.8880
650 VPR 0.8879
651 KKN 0.8878
652 L3Q 0.8878
653 XHP 0.8877
654 BNS 0.8876
655 9X7 0.8876
656 8NY 0.8875
657 BE7 0.8874
658 VK3 0.8874
659 EOL 0.8874
660 GOO 0.8874
661 HBA 0.8873
662 UFV 0.8873
663 BHO 0.8872
664 3FH 0.8871
665 RIP 0.8870
666 KYD 0.8869
667 B57 0.8868
668 KJH 0.8868
669 7WG 0.8867
670 44V 0.8867
671 TH7 0.8865
672 ARA 0.8864
673 JBQ 0.8862
674 KTA 0.8861
675 12Q 0.8860
676 ISN 0.8860
677 ASC 0.8860
678 ADA 0.8859
679 40O 0.8859
680 N7P 0.8858
681 F9Y 0.8856
682 7W4 0.8855
683 FLC 0.8854
684 7VJ 0.8850
685 ARB 0.8850
686 5QX 0.8849
687 GTL 0.8849
688 DMD 0.8847
689 JZ7 0.8846
690 R2B 0.8846
691 6ME 0.8846
692 SF6 0.8845
693 OTW 0.8843
694 2AK 0.8842
695 FCA 0.8841
696 NFQ 0.8840
697 OTD 0.8839
698 MZW 0.8838
699 EQT 0.8837
700 KDF 0.8837
701 PHB 0.8836
702 MLT 0.8836
703 CXL 0.8836
704 7W1 0.8835
705 E35 0.8834
706 6VD 0.8833
707 4VP 0.8833
708 1XX 0.8833
709 PRY 0.8833
710 ASN 0.8833
711 F31 0.8832
712 ISZ 0.8832
713 HNQ 0.8831
714 DNC 0.8830
715 MR1 0.8828
716 ES7 0.8826
717 HSE 0.8824
718 JKZ 0.8822
719 ICC 0.8822
720 2EC 0.8820
721 44W 0.8820
722 CRN 0.8820
723 JB5 0.8819
724 OEM 0.8819
725 4FS 0.8818
726 2AQ 0.8818
727 FHN 0.8816
728 IPB 0.8816
729 OCH 0.8814
730 HQT 0.8814
731 WOO 0.8814
732 ZB1 0.8814
733 TSS 0.8814
734 5WV 0.8813
735 MMA 0.8813
736 CIT 0.8812
737 6JN 0.8811
738 NDM 0.8809
739 8LG 0.8808
740 GLT 0.8808
741 INS 0.8807
742 5CL 0.8806
743 6XI 0.8805
744 KP6 0.8805
745 PD2 0.8804
746 7ME 0.8804
747 3WA 0.8803
748 717 0.8803
749 03V 0.8801
750 92Z 0.8801
751 LRH 0.8801
752 MNM 0.8800
753 QSC 0.8800
754 ITN 0.8800
755 45L 0.8798
756 BCF 0.8797
757 3DO 0.8794
758 HCS 0.8790
759 XUL 0.8789
760 3R6 0.8788
761 PXM 0.8787
762 NPY 0.8784
763 XIY 0.8781
764 QUZ 0.8779
765 FP2 0.8779
766 CFI 0.8779
767 JAE 0.8778
768 HFB 0.8777
769 23J 0.8777
770 BBF 0.8776
771 ORN 0.8776
772 H42 0.8775
773 RAM 0.8775
774 HXX 0.8774
775 8XQ 0.8772
776 DPF 0.8772
777 MEV 0.8771
778 8G0 0.8771
779 2EH 0.8771
780 ES5 0.8770
781 E60 0.8770
782 SYA 0.8769
783 SFU 0.8769
784 CAQ 0.8768
785 DHS 0.8768
786 32O 0.8767
787 GZL 0.8767
788 ALL 0.8765
789 680 0.8763
790 2ZV 0.8762
791 8CL 0.8761
792 GOX 0.8761
793 MET 0.8761
794 MS9 0.8761
795 GRE 0.8760
796 6F0 0.8758
797 HIO 0.8758
798 1M2 0.8756
799 ENL 0.8756
800 JZ9 0.8755
801 GLF 0.8754
802 2TQ 0.8754
803 HHN 0.8753
804 MVN 0.8753
805 LFR 0.8752
806 2CH 0.8751
807 HTS 0.8751
808 SOR 0.8751
809 DIG 0.8750
810 H7Y 0.8750
811 GXE 0.8750
812 EYK 0.8750
813 L89 0.8749
814 NSP 0.8748
815 AH8 0.8748
816 NVA 0.8748
817 OW7 0.8747
818 NPO 0.8747
819 6X8 0.8746
820 1F1 0.8746
821 FBM 0.8745
822 FEH 0.8743
823 Z5P 0.8743
824 HAI 0.8743
825 0TR 0.8741
826 1AN 0.8740
827 MBN 0.8739
828 2AF 0.8739
829 2PG 0.8738
830 DZX 0.8738
831 DQN 0.8737
832 463 0.8737
833 DNF 0.8734
834 MWP 0.8734
835 H33 0.8733
836 B60 0.8732
837 275 0.8730
838 6NT 0.8730
839 SKA 0.8729
840 DEE 0.8729
841 YHO 0.8729
842 BDF 0.8728
843 IBF 0.8727
844 FB2 0.8727
845 TTO 0.8726
846 76X 0.8726
847 TTL 0.8726
848 938 0.8725
849 IPH 0.8724
850 PAF 0.8724
851 R1X 0.8723
852 ECE 0.8723
853 H8N 0.8722
854 7D2 0.8721
855 HGW 0.8719
856 1U1 0.8718
857 X09 0.8716
858 MAQ 0.8715
859 JZ0 0.8715
860 KFH 0.8715
861 7N0 0.8715
862 PAB 0.8715
863 PIH 0.8714
864 X0V 0.8714
865 EDG 0.8713
866 24T 0.8713
867 5RO 0.8713
868 2CK 0.8713
869 FBB 0.8711
870 86J 0.8709
871 G2H 0.8708
872 PHU 0.8708
873 1X7 0.8708
874 DBX 0.8708
875 1AB 0.8707
876 0W1 0.8706
877 CCB 0.8705
878 BEW 0.8704
879 0HN 0.8704
880 K2T 0.8703
881 RUU 0.8703
882 3NY 0.8702
883 OXE 0.8701
884 BK9 0.8701
885 AFR 0.8701
886 93Q 0.8700
887 TAR 0.8700
888 IT2 0.8699
889 AEH 0.8696
890 4SX 0.8696
891 AN0 0.8693
892 WOT 0.8692
893 2ZM 0.8691
894 4TU 0.8690
895 Z82 0.8690
896 3AP 0.8689
897 FB1 0.8688
898 6M1 0.8687
899 293 0.8685
900 FA6 0.8685
901 QY9 0.8683
902 ISD 0.8682
903 ZXD 0.8682
904 14J 0.8681
905 0HO 0.8680
906 F4Z 0.8680
907 PCI 0.8679
908 I1E 0.8677
909 IFP 0.8676
910 K17 0.8675
911 OHG 0.8674
912 PFL 0.8673
913 4Z4 0.8672
914 FBA 0.8672
915 XSP 0.8672
916 E7Z 0.8669
917 SRO 0.8669
918 EDR 0.8668
919 GXY 0.8668
920 BML 0.8666
921 M4T 0.8664
922 150 0.8664
923 94B 0.8664
924 EKZ 0.8664
925 P84 0.8664
926 DTU 0.8664
927 TMT 0.8663
928 4AP 0.8663
929 258 0.8661
930 PEZ 0.8660
931 KJY 0.8660
932 2AP 0.8660
933 2HU 0.8659
934 95Z 0.8658
935 FBV 0.8657
936 SC2 0.8657
937 FBG 0.8655
938 1WG 0.8654
939 OAA 0.8654
940 ABI 0.8653
941 7CZ 0.8650
942 PAC 0.8650
943 NVI 0.8649
944 TIU 0.8647
945 PMB 0.8647
946 CTS 0.8646
947 HRZ 0.8641
948 6RQ 0.8641
949 2CQ 0.8640
950 LNR 0.8639
951 ICF 0.8636
952 N8Y 0.8636
953 HVK 0.8634
954 45C 0.8630
955 DAS 0.8630
956 JA8 0.8630
957 4PW 0.8630
958 LDU 0.8629
959 4P5 0.8629
960 F9P 0.8628
961 GJZ 0.8626
962 948 0.8623
963 HBD 0.8623
964 4FH 0.8622
965 LGA 0.8621
966 P72 0.8621
967 TC7 0.8620
968 CDV 0.8618
969 6HQ 0.8615
970 ROR 0.8615
971 KJU 0.8613
972 DTL 0.8612
973 1Y6 0.8609
974 C2Y 0.8605
975 4MA 0.8603
976 92P 0.8601
977 32X 0.8600
978 9TY 0.8600
979 9PO 0.8599
980 PBZ 0.8599
981 4HS 0.8598
982 93B 0.8598
983 MMZ 0.8597
984 PBE 0.8594
985 4JT 0.8590
986 ABE 0.8590
987 DA4 0.8589
988 3A9 0.8584
989 5NI 0.8583
990 FW5 0.8583
991 4CH 0.8583
992 XYL 0.8581
993 RB5 0.8581
994 UFO 0.8580
995 JAW 0.8579
996 263 0.8579
997 KPL 0.8579
998 TMZ 0.8578
999 NXA 0.8576
1000 TLA 0.8576
1001 PEP 0.8575
1002 GOG 0.8567
1003 VXX 0.8565
1004 SYV 0.8564
1005 BNT 0.8553
1006 G3E 0.8552
1007 PCR 0.8547
1008 6NI 0.8544
1009 CFF 0.8524
1010 2BG 0.8519
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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