Receptor
PDB id Resolution Class Description Source Keywords
6F20 2 Å EC: 3.6.1.55 COMPLEX BETWEEN MTH1 AND COMPOUND 1 (A 7-AZAINDOLE-4-ESTER D HOMO SAPIENS NUDIX NUCLEOTIDE HYDROLASE INHIBITOR ONCOLOGY HYDROLASE
Ref.: CREATION OF A NOVEL CLASS OF POTENT AND SELECTIVE M HOMOLOGUE 1 (MTH1) INHIBITORS USING FRAGMENT-BASED AND STRUCTURE-BASED DRUG DESIGN. J. MED. CHEM. V. 61 2533 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C9E B:201;
A:201;
 Valid;
Valid;
 none;
none;
 Kd = 49.5 uM
190.199 C10 H10 N2 O2 CCOC(...
SO4 A:205;
B:202;
A:202;
A:206;
A:204;
A:203;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ACT B:204;
A:207;
A:208;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
GOL B:203;
 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
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: C9E; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 C9E 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: C9E; Similar ligands found: 844
No: Ligand Similarity coefficient
1 1QP 0.9834
2 O2A 0.9650
3 4ME 0.9633
4 BPU 0.9585
5 8GK 0.9579
6 92P 0.9550
7 2LY 0.9550
8 ZME 0.9484
9 C2Y 0.9476
10 E35 0.9443
11 N8Y 0.9443
12 6J9 0.9442
13 7CT 0.9430
14 ONZ 0.9422
15 VXX 0.9418
16 EGR 0.9414
17 NVU 0.9414
18 UFO 0.9391
19 64C 0.9384
20 7I2 0.9374
21 PH2 0.9372
22 ALE 0.9370
23 55D 0.9364
24 R9Y 0.9362
25 F12 0.9357
26 9UL 0.9355
27 8XL 0.9336
28 64E 0.9329
29 ZIP 0.9324
30 67Y 0.9323
31 JR2 0.9322
32 TSS 0.9317
33 28N 0.9311
34 0FO 0.9309
35 KYA 0.9305
36 DRG 0.9303
37 INE 0.9295
38 BK9 0.9291
39 68A 0.9288
40 NLA 0.9283
41 3Z8 0.9271
42 ZZZ 0.9268
43 42C 0.9267
44 L21 0.9265
45 2K8 0.9265
46 1Z8 0.9264
47 M3Q 0.9263
48 6XI 0.9261
49 8WT 0.9261
50 5OF 0.9256
51 EOL 0.9248
52 0XT 0.9247
53 IAC 0.9244
54 2FQ 0.9242
55 HPT 0.9239
56 SRO 0.9238
57 Q6T 0.9234
58 M4E 0.9231
59 XQI 0.9228
60 TSR 0.9225
61 5JT 0.9222
62 GV9 0.9222
63 MRW 0.9218
64 4TU 0.9217
65 KUF 0.9216
66 M02 0.9214
67 J9T 0.9212
68 APZ 0.9212
69 2KU 0.9210
70 M6Z 0.9209
71 2ZQ 0.9208
72 9F8 0.9208
73 HBO 0.9207
74 B62 0.9205
75 XFE 0.9201
76 DQU 0.9199
77 H4E 0.9198
78 IJZ 0.9193
79 DNA 0.9192
80 FOT 0.9191
81 K3Q 0.9190
82 5V7 0.9190
83 QUB 0.9190
84 6DP 0.9188
85 5WY 0.9188
86 7MX 0.9187
87 DNF 0.9185
88 W8G 0.9185
89 HHR 0.9182
90 N7I 0.9181
91 NPA 0.9181
92 DHK 0.9179
93 1A7 0.9178
94 61M 0.9178
95 CWS 0.9175
96 OMD 0.9170
97 EV0 0.9167
98 MVN 0.9166
99 54X 0.9166
100 9KH 0.9166
101 6VD 0.9165
102 DEE 0.9164
103 BDI 0.9163
104 TQU 0.9162
105 3Y7 0.9160
106 069 0.9159
107 AY4 0.9159
108 45L 0.9157
109 8TX 0.9156
110 AKH 0.9155
111 7NI 0.9152
112 DIN 0.9152
113 ZYV 0.9151
114 AX3 0.9150
115 CCV 0.9148
116 0P6 0.9148
117 XHP 0.9148
118 6ME 0.9148
119 GOE 0.9147
120 4V2 0.9147
121 5RN 0.9146
122 ZZ2 0.9144
123 IOS 0.9143
124 8XQ 0.9143
125 6HP 0.9142
126 692 0.9138
127 ASC 0.9136
128 PDC 0.9134
129 57O 0.9134
130 CH9 0.9133
131 QX4 0.9131
132 44W 0.9130
133 I59 0.9129
134 8HC 0.9126
135 0FK 0.9125
136 JTH 0.9125
137 F2W 0.9123
138 8NX 0.9123
139 BGC 0.9123
140 2SX 0.9122
141 6Q3 0.9122
142 KT7 0.9118
143 MUA 0.9117
144 7ME 0.9116
145 XDE 0.9114
146 7WR 0.9112
147 23J 0.9111
148 QMS 0.9109
149 0FR 0.9106
150 IOP 0.9105
151 GDE 0.9105
152 NID 0.9104
153 0LH 0.9104
154 Q5M 0.9103
155 AMR 0.9103
156 YTX 0.9102
157 774 0.9101
158 JND 0.9099
159 V1T 0.9099
160 M5H 0.9098
161 GJP 0.9098
162 ZON 0.9098
163 JP2 0.9097
164 ONR 0.9097
165 BB4 0.9096
166 URC 0.9095
167 8IG 0.9095
168 44V 0.9094
169 B55 0.9093
170 5TY 0.9092
171 9BF 0.9092
172 49N 0.9090
173 ICO 0.9089
174 GZL 0.9089
175 DNC 0.9088
176 SHA 0.9087
177 8W9 0.9086
178 209 0.9085
179 HHS 0.9085
180 7ZE 0.9083
181 30G 0.9081
182 263 0.9079
183 3IT 0.9078
184 G3F 0.9078
185 IBM 0.9077
186 GNM 0.9076
187 878 0.9074
188 UAN 0.9074
189 HA5 0.9074
190 AEH 0.9073
191 LNR 0.9073
192 PRZ 0.9073
193 ZEA 0.9072
194 CX4 0.9071
195 XAZ 0.9071
196 AJV 0.9070
197 ORO 0.9069
198 H5B 0.9069
199 CIY 0.9068
200 9R5 0.9067
201 344 0.9066
202 78U 0.9064
203 A7W 0.9060
204 8WZ 0.9060
205 OA3 0.9060
206 0F9 0.9059
207 DHY 0.9058
208 OSB 0.9057
209 GCS 0.9057
210 OTW 0.9056
211 F5C 0.9055
212 B2J 0.9055
213 B21 0.9053
214 8ZE 0.9053
215 HNQ 0.9044
216 NAG 0.9044
217 VNL 0.9042
218 LDR 0.9041
219 JG8 0.9039
220 ZYR 0.9037
221 4MU 0.9036
222 LLG 0.9035
223 5WU 0.9034
224 Z5P 0.9034
225 KTW 0.9034
226 BPY 0.9033
227 TRP 0.9033
228 6BL 0.9032
229 20J 0.9032
230 GO8 0.9031
231 QBM 0.9031
232 8CM 0.9030
233 MOK 0.9029
234 2AL 0.9029
235 GCO 0.9028
236 D1X 0.9026
237 J9Q 0.9026
238 97T 0.9026
239 H7Y 0.9026
240 I2E 0.9025
241 EWG 0.9025
242 KDV 0.9023
243 28S 0.9019
244 G6P 0.9019
245 N2I 0.9017
246 FLV 0.9016
247 5RO 0.9011
248 5WN 0.9010
249 3QV 0.9010
250 A9O 0.9009
251 2ZM 0.9009
252 E7R 0.9009
253 7MU 0.9009
254 BTY 0.9008
255 0W1 0.9007
256 DX3 0.9007
257 SQ7 0.9007
258 H33 0.9006
259 22L 0.9004
260 BZE 0.9003
261 FER 0.9003
262 2HC 0.9001
263 VYM 0.9000
264 VM1 0.9000
265 CFA 0.8999
266 AC2 0.8999
267 ELH 0.8998
268 FDR 0.8998
269 3RI 0.8998
270 4A1 0.8995
271 ESI 0.8994
272 GLC 0.8993
273 DOR 0.8993
274 5NE 0.8992
275 1F1 0.8992
276 N3W 0.8990
277 4A5 0.8990
278 PEY 0.8988
279 0JD 0.8987
280 X0W 0.8986
281 B4O 0.8986
282 JXK 0.8985
283 15E 0.8985
284 2EC 0.8984
285 9AP 0.8983
286 C9M 0.8982
287 4VS 0.8981
288 DTR 0.8981
289 GCB 0.8981
290 5WT 0.8980
291 AIN 0.8979
292 OW7 0.8979
293 7VS 0.8976
294 I6G 0.8975
295 GHM 0.8974
296 DBH 0.8974
297 MQB 0.8973
298 QPR 0.8973
299 A29 0.8972
300 52C 0.8970
301 LDP 0.8970
302 OXC 0.8970
303 EDR 0.8969
304 NQH 0.8968
305 1HN 0.8968
306 5JL 0.8967
307 HQD 0.8966
308 1X8 0.8965
309 3R6 0.8965
310 L99 0.8965
311 HRM 0.8965
312 PD2 0.8963
313 JFJ 0.8962
314 ABI 0.8961
315 CK2 0.8961
316 JYK 0.8960
317 75K 0.8960
318 HQJ 0.8959
319 ROI 0.8959
320 MXD 0.8959
321 DHC 0.8959
322 NIP 0.8958
323 F6P 0.8956
324 PRF 0.8954
325 TT4 0.8954
326 6TZ 0.8953
327 3D8 0.8953
328 BA5 0.8952
329 F69 0.8951
330 E1T 0.8949
331 DPZ 0.8946
332 4YO 0.8946
333 3A9 0.8945
334 39O 0.8944
335 CLZ 0.8944
336 4KL 0.8943
337 M1Z 0.8942
338 9FL 0.8942
339 0TU 0.8942
340 RD4 0.8941
341 2FY 0.8940
342 92K 0.8940
343 SYR 0.8939
344 3N4 0.8939
345 SBK 0.8938
346 BCU 0.8938
347 15L 0.8937
348 CFF 0.8937
349 15N 0.8937
350 JKZ 0.8937
351 4XV 0.8937
352 3HA 0.8935
353 FF2 0.8934
354 EVA 0.8934
355 JYB 0.8932
356 ZYW 0.8932
357 ITW 0.8931
358 M01 0.8929
359 FE DB1 0.8928
360 IPT 0.8925
361 4JQ 0.8925
362 SG2 0.8924
363 P7Y 0.8924
364 4OG 0.8923
365 FXH 0.8922
366 UNC 0.8922
367 34D 0.8921
368 JXZ 0.8919
369 EXD 0.8919
370 226 0.8918
371 L5V 0.8917
372 V55 0.8917
373 JTA 0.8916
374 7B3 0.8916
375 LYL 0.8916
376 R20 0.8916
377 NBG 0.8915
378 6NT 0.8915
379 0N7 0.8915
380 293 0.8913
381 6HO 0.8912
382 M0W 0.8912
383 2JK 0.8911
384 0HO 0.8911
385 AJY 0.8910
386 GZV 0.8910
387 M0Q 0.8909
388 AS3 0.8908
389 Q71 0.8907
390 MQN 0.8907
391 MS9 0.8906
392 TAG 0.8906
393 ANC 0.8906
394 7FF 0.8906
395 XQK 0.8904
396 4RU 0.8903
397 5RG 0.8902
398 6QF 0.8902
399 XDK 0.8900
400 M1E 0.8899
401 64F 0.8898
402 4Z9 0.8897
403 SAF 0.8897
404 L22 0.8897
405 X8Z 0.8896
406 EMZ 0.8895
407 MBP 0.8894
408 EYA 0.8893
409 5NS 0.8892
410 LGC 0.8890
411 2O6 0.8890
412 9MG 0.8888
413 SLS 0.8888
414 TTY 0.8888
415 MHK 0.8886
416 N2M 0.8885
417 MD6 0.8885
418 NCV 0.8883
419 537 0.8883
420 1X7 0.8883
421 GNV 0.8882
422 2HO 0.8880
423 4XS 0.8879
424 N0Z 0.8879
425 HLD 0.8877
426 3VX 0.8875
427 9TZ 0.8874
428 ZYQ 0.8873
429 JB8 0.8871
430 C4E 0.8871
431 X8D 0.8870
432 5F5 0.8870
433 FWD 0.8869
434 KJU 0.8868
435 JF2 0.8868
436 KYN 0.8867
437 C2U 0.8866
438 B5D 0.8865
439 CKA 0.8865
440 EYY 0.8864
441 86J 0.8864
442 HLZ 0.8862
443 RVE 0.8862
444 6X9 0.8860
445 BZJ 0.8860
446 HL4 0.8860
447 XEN 0.8859
448 0HN 0.8859
449 SKM 0.8859
450 54G 0.8859
451 GZ2 0.8859
452 F52 0.8858
453 7ZL 0.8858
454 AM1 0.8858
455 2HU 0.8858
456 49O 0.8858
457 4AA 0.8857
458 ETV 0.8856
459 VK3 0.8856
460 12T 0.8856
461 EA1 0.8855
462 PQ0 0.8854
463 GTR 0.8854
464 GAL 0.8853
465 KBG 0.8853
466 PLP 0.8852
467 LEL 0.8852
468 4XY 0.8851
469 KGK 0.8850
470 8MO 0.8849
471 FGZ 0.8849
472 3MB 0.8848
473 QBK 0.8848
474 Q88 0.8848
475 5NI 0.8847
476 QAT 0.8845
477 1M2 0.8844
478 9ZE 0.8844
479 BEA 0.8843
480 CR1 0.8843
481 JDN 0.8843
482 JY2 0.8842
483 5TZ 0.8841
484 2D0 0.8840
485 DK1 0.8840
486 OX2 0.8839
487 TIY 0.8839
488 Q24 0.8839
489 L7T 0.8839
490 PQT 0.8838
491 YSO 0.8837
492 6R8 0.8837
493 RXA 0.8836
494 9FE 0.8835
495 KFH 0.8835
496 SYA 0.8834
497 EUG 0.8833
498 JF1 0.8832
499 5MK 0.8832
500 1P7 0.8831
501 DHB 0.8831
502 EYM 0.8830
503 9CA 0.8829
504 N91 0.8828
505 0A9 0.8827
506 I3A 0.8827
507 14W 0.8825
508 7ZC 0.8825
509 CK1 0.8825
510 QSH 0.8824
511 GZ8 0.8824
512 2HQ 0.8823
513 GAB 0.8823
514 1SS 0.8823
515 2AK 0.8822
516 F31 0.8822
517 PMP 0.8822
518 X11 0.8821
519 TVP 0.8821
520 6PB 0.8820
521 1IT 0.8820
522 BQ2 0.8820
523 AH9 0.8819
524 INO 0.8819
525 KG1 0.8819
526 GJK 0.8819
527 3XH 0.8818
528 TWO 0.8818
529 1QV 0.8816
530 IWT 0.8816
531 3IB 0.8816
532 4NO 0.8815
533 O2Y 0.8813
534 BGP 0.8813
535 GM7 0.8812
536 4NC 0.8812
537 UFV 0.8811
538 MPK 0.8811
539 4R1 0.8810
540 9KT 0.8810
541 8G6 0.8810
542 7HQ 0.8810
543 3F0 0.8809
544 II4 0.8809
545 EVO 0.8809
546 4M4 0.8808
547 M3E 0.8807
548 3TC 0.8806
549 25O 0.8806
550 EXL 0.8806
551 93K 0.8805
552 TOH 0.8805
553 FBU 0.8805
554 MIG 0.8804
555 MYI 0.8803
556 BZ3 0.8803
557 B23 0.8803
558 790 0.8802
559 GTQ 0.8802
560 0GZ 0.8802
561 AZ9 0.8802
562 A13 0.8801
563 3J8 0.8801
564 GJS 0.8799
565 IV2 0.8799
566 SXS 0.8799
567 XIY 0.8799
568 AW5 0.8798
569 ZHA 0.8796
570 5M0 0.8795
571 3EB 0.8795
572 535 0.8795
573 CWM 0.8794
574 2H5 0.8794
575 MFZ 0.8793
576 1KP 0.8793
577 CWD 0.8792
578 OVM 0.8791
579 5OB 0.8790
580 LZ2 0.8788
581 MCO 0.8788
582 FUZ 0.8788
583 AMQ 0.8787
584 QUS 0.8786
585 Q77 0.8786
586 3M0 0.8785
587 PFB 0.8783
588 CXH 0.8782
589 M2K 0.8782
590 CKU 0.8782
591 3IL 0.8781
592 4HC 0.8781
593 NQ 0.8780
594 KF5 0.8780
595 PYQ 0.8779
596 SX1 0.8778
597 3LJ 0.8778
598 15A 0.8777
599 BHO 0.8777
600 IKY 0.8776
601 53C 0.8776
602 1AL 0.8775
603 6NI 0.8775
604 DCZ 0.8774
605 FP1 0.8774
606 SHG 0.8774
607 NBV 0.8773
608 R2P 0.8772
609 BG6 0.8772
610 HVE 0.8771
611 GC3 0.8770
612 KLK 0.8770
613 2BG 0.8770
614 NIZ 0.8769
615 LI6 0.8769
616 JYT 0.8768
617 HJP 0.8768
618 WOE 0.8767
619 A7H 0.8767
620 SER PRO 0.8767
621 ZEZ 0.8766
622 KWB 0.8766
623 JRB 0.8764
624 ASE 0.8763
625 5B1 0.8762
626 P9P 0.8762
627 94W 0.8761
628 LAH 0.8761
629 QAS 0.8761
630 42A 0.8761
631 A7K 0.8760
632 K37 0.8760
633 4HM 0.8760
634 DUR 0.8760
635 46P 0.8760
636 1ZC 0.8760
637 4ZF 0.8759
638 KLV 0.8758
639 3HB 0.8755
640 2KA 0.8754
641 12B 0.8753
642 X04 0.8753
643 C0W 0.8752
644 BPS 0.8751
645 8WO 0.8751
646 XQG 0.8750
647 B56 0.8750
648 9GP 0.8749
649 PXL 0.8748
650 5QX 0.8746
651 JXN 0.8745
652 A1Y 0.8745
653 8MP 0.8744
654 MYJ 0.8742
655 D80 0.8741
656 9TW 0.8741
657 MT8 0.8741
658 CPW 0.8741
659 EYK 0.8740
660 MPP 0.8740
661 3AB 0.8740
662 MUR 0.8739
663 DBQ 0.8738
664 HA6 0.8738
665 3NT 0.8738
666 KBB 0.8738
667 BQ5 0.8737
668 DPT 0.8735
669 MAQ 0.8735
670 5GU 0.8735
671 XM5 0.8734
672 RZH 0.8733
673 NNO 0.8733
674 EYV 0.8732
675 S7B 0.8731
676 HJH 0.8731
677 9UG 0.8731
678 F0J 0.8731
679 LZM 0.8730
680 CFI 0.8728
681 8GC 0.8727
682 6L6 0.8726
683 AQO 0.8726
684 NFM 0.8724
685 F06 0.8724
686 5QY 0.8724
687 OW4 0.8723
688 NIY 0.8722
689 8G0 0.8722
690 BWD 0.8722
691 IL5 0.8721
692 PZI 0.8721
693 F4E 0.8720
694 ET0 0.8719
695 I1E 0.8718
696 HQ9 0.8718
697 9BZ 0.8718
698 LTT 0.8717
699 E1K 0.8717
700 SNY 0.8717
701 3PF 0.8716
702 MB1 0.8716
703 X0T 0.8714
704 4Z4 0.8714
705 ES0 0.8713
706 M1H 0.8712
707 G3E 0.8712
708 4XF 0.8712
709 TOF 0.8712
710 J9W 0.8709
711 BIK 0.8708
712 SR1 0.8708
713 PXP 0.8708
714 2LP 0.8707
715 FCD 0.8706
716 B2E 0.8705
717 4GU 0.8704
718 GI3 0.8702
719 7W1 0.8702
720 D07 0.8702
721 5WS 0.8702
722 E1P 0.8699
723 5VJ 0.8697
724 DEW 0.8696
725 GLP 0.8696
726 3B4 0.8695
727 RB2 0.8694
728 GOX 0.8694
729 JY4 0.8693
730 C09 0.8693
731 60Q 0.8693
732 4A3 0.8691
733 THM 0.8690
734 VOH 0.8689
735 K5W 0.8686
736 FC2 0.8685
737 XG1 0.8685
738 JU2 0.8685
739 DBJ 0.8684
740 G12 0.8684
741 M6D 0.8682
742 NHT 0.8682
743 U2Z 0.8682
744 AJ2 0.8682
745 FNA 0.8681
746 FHB 0.8681
747 5XC 0.8681
748 TEP 0.8679
749 B60 0.8677
750 CHB 0.8677
751 HBI 0.8677
752 OVV 0.8676
753 DAH 0.8675
754 0DN 0.8673
755 BIO 0.8672
756 1L5 0.8671
757 MUX 0.8671
758 CC5 0.8671
759 HHA 0.8670
760 D48 0.8670
761 E7Z 0.8669
762 37T 0.8669
763 YQA 0.8667
764 258 0.8666
765 KFN 0.8664
766 DRL 0.8664
767 DBX 0.8663
768 39Z 0.8663
769 CE2 0.8658
770 GN6 0.8658
771 PE0 0.8657
772 MMS 0.8657
773 G5V 0.8655
774 3HM 0.8654
775 KJH 0.8653
776 505 0.8652
777 WSD 0.8650
778 GTC 0.8650
779 B41 0.8649
780 J5I 0.8648
781 43U 0.8647
782 B86 0.8644
783 SE2 0.8644
784 H7S 0.8642
785 QIF 0.8642
786 ES5 0.8641
787 JBK 0.8641
788 36M 0.8640
789 A4G 0.8638
790 K97 0.8638
791 IHB 0.8635
792 YZM 0.8633
793 M9N 0.8633
794 D6G 0.8632
795 8VN 0.8632
796 OKM 0.8631
797 6ZW 0.8631
798 PVK 0.8629
799 OUB 0.8626
800 M5K 0.8625
801 12R 0.8624
802 YOF 0.8623
803 DTE 0.8622
804 8VE 0.8620
805 D3G 0.8620
806 4FS 0.8617
807 7AP 0.8617
808 4AB 0.8613
809 03V 0.8612
810 M1Q 0.8611
811 AP4 0.8610
812 FWB 0.8609
813 JUG 0.8607
814 KNA 0.8606
815 2AQ 0.8605
816 HQT 0.8602
817 5BT 0.8599
818 OCH 0.8597
819 TOM 0.8597
820 MEW 0.8597
821 H2B 0.8596
822 V6F 0.8596
823 268 0.8590
824 4VY 0.8590
825 QSB 0.8588
826 P1J 0.8588
827 S24 0.8586
828 B2T 0.8582
829 COU 0.8579
830 ISJ 0.8575
831 3TJ 0.8569
832 HMD 0.8563
833 KCH 0.8563
834 TNG 0.8556
835 32X 0.8550
836 MT0 0.8549
837 495 0.8547
838 TFU 0.8540
839 FIX 0.8539
840 B0K 0.8539
841 1SQ 0.8531
842 4B0 0.8531
843 PO6 0.8521
844 2JM 0.8518
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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