Receptor
PDB id Resolution Class Description Source Keywords
6bky 2.17 Å EC: 1.1.1.42 NOVEL BINDING MODES OF INHIBITION OF WILD-TYPE IDH1: ALLOSTE INHIBITION WITH CMPD2 HOMO SAPIENS DEHYDROGENASE INHIBITOR OXIDOREDUCTASE OXIDOREDUCTASE- OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: NOVEL MODES OF INHIBITION OF WILD-TYPE ISOCITRATE DEHYDROGENASE 1 (IDH1): DIRECT COVALENT MODIFICATIO HIS315. J. MED. CHEM. V. 61 6647 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K32 D:503;
E:501;
A:502;
 Valid;
Valid;
Valid;
 none;
none;
none;
 ic50 = 270 nM
449.72 C7 H2 Br4 N2 O c12c(...
MG D:502;
D:504;
F:502;
A:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
LMR F:501;
A:503;
D:501;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
134.087 C4 H6 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UMX 1.88 Å EC: 1.1.1.42 IDH1 R132H IN COMPLEX WITH CPD 1 HOMO SAPIENS OXIDOREDUCTASE ISOCITRATE DEHYDROGENASE INHIBITOR
Ref.: SELECTIVE INHIBITION OF MUTANT ISOCITRATE DEHYDROGE (IDH1) VIA DISRUPTION OF A METAL BINDING NETWORK BY ALLOSTERIC SMALL MOLECULE. J.BIOL.CHEM. V. 290 762 2015
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3INM - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 5SUN ic50 = 0.59 uM 70Q C24 H22 N4 O4 S CN(C)S(=O)....
3 6BKX - ICT C6 H8 O7 C([C@@H]([....
4 5YZH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 6VEI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 4L06 Kd = 0.12 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4UMY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 6BL0 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 5DE1 ic50 = 46 nM 59D C28 H28 F N5 O3 C[C@@H]1CN....
10 6PAY Kd = 0.51 mM ICT C6 H8 O7 C([C@@H]([....
11 6BL1 ic50 = 110 nM DWG C26 H24 N4 O C[C@H]1[C@....
12 5TQH ic50 = 0.02 uM 7J2 C23 H25 F N6 O2 Cc1cc(ccc1....
13 4UMX ic50 = 0.011 uM VVS C22 H30 N4 O CC(C)(C)CC....
14 6BKY ic50 = 270 nM K32 C7 H2 Br4 N2 O c12c(c(c(c....
15 6B0Z ic50 = 0.018 uM C81 C23 H22 F4 N6 O2 Cc1cc(ncc1....
16 6U4J ic50 = 0.0212 uM PWV C18 H15 Cl N4 O2 C[C@@H](C1....
17 6IO0 ic50 = 130 nM AOU C25 H20 Cl2 N2 O4 CC(C)c1c(c....
18 6BKZ ic50 = 120 nM DWM C28 H28 F N5 O3 C[C@@H]1CN....
19 1T0L - ICT C6 H8 O7 C([C@@H]([....
20 4L03 Kd = 0.013 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 5SVF ic50 = 0.22 uM 70P C18 H22 N4 O2 C[C@@H](c1....
22 4KZO Kd = 0.043 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 6BL2 - ICT C6 H8 O7 C([C@@H]([....
24 6O2Z ic50 = 0.072 uM LJV C17 H13 Cl N4 O Cc1c(ccc(n....
70% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3INM - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 5SUN ic50 = 0.59 uM 70Q C24 H22 N4 O4 S CN(C)S(=O)....
3 6BKX - ICT C6 H8 O7 C([C@@H]([....
4 5YZH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 6VEI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 4L06 Kd = 0.12 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4UMY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 6BL0 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 5DE1 ic50 = 46 nM 59D C28 H28 F N5 O3 C[C@@H]1CN....
10 6PAY Kd = 0.51 mM ICT C6 H8 O7 C([C@@H]([....
11 6BL1 ic50 = 110 nM DWG C26 H24 N4 O C[C@H]1[C@....
12 5TQH ic50 = 0.02 uM 7J2 C23 H25 F N6 O2 Cc1cc(ccc1....
13 4UMX ic50 = 0.011 uM VVS C22 H30 N4 O CC(C)(C)CC....
14 6BKY ic50 = 270 nM K32 C7 H2 Br4 N2 O c12c(c(c(c....
15 6B0Z ic50 = 0.018 uM C81 C23 H22 F4 N6 O2 Cc1cc(ncc1....
16 6U4J ic50 = 0.0212 uM PWV C18 H15 Cl N4 O2 C[C@@H](C1....
17 6IO0 ic50 = 130 nM AOU C25 H20 Cl2 N2 O4 CC(C)c1c(c....
18 6BKZ ic50 = 120 nM DWM C28 H28 F N5 O3 C[C@@H]1CN....
19 1T0L - ICT C6 H8 O7 C([C@@H]([....
20 4L03 Kd = 0.013 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 5SVF ic50 = 0.22 uM 70P C18 H22 N4 O2 C[C@@H](c1....
22 4KZO Kd = 0.043 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 6BL2 - ICT C6 H8 O7 C([C@@H]([....
24 6O2Z ic50 = 0.072 uM LJV C17 H13 Cl N4 O Cc1c(ccc(n....
25 2QFY - AKG C5 H6 O5 C(CC(=O)O)....
26 2QFV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 4HCX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 5SVN - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 4JA8 - 1K9 C21 H18 F3 N3 O3 S2 c1cc(cc(c1....
30 6ADI ic50 = 31.7 nM 9UO C14 H13 Cl F6 N6 C[C@H](C(F....
31 6VFZ - 9UO C14 H13 Cl F6 N6 C[C@H](C(F....
32 1LWD - ICT C6 H8 O7 C([C@@H]([....
33 5I95 - AKG C5 H6 O5 C(CC(=O)O)....
34 5H3E - ICT C6 H8 O7 C([C@@H]([....
35 5I96 ic50 = 100 nM 69Q C19 H17 F6 N7 O CC(C)(CNc1....
36 5SVO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3INM - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 5SUN ic50 = 0.59 uM 70Q C24 H22 N4 O4 S CN(C)S(=O)....
3 6BKX - ICT C6 H8 O7 C([C@@H]([....
4 5YZH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 6VEI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 4L06 Kd = 0.12 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4UMY - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 6BL0 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 5DE1 ic50 = 46 nM 59D C28 H28 F N5 O3 C[C@@H]1CN....
10 6PAY Kd = 0.51 mM ICT C6 H8 O7 C([C@@H]([....
11 6BL1 ic50 = 110 nM DWG C26 H24 N4 O C[C@H]1[C@....
12 5TQH ic50 = 0.02 uM 7J2 C23 H25 F N6 O2 Cc1cc(ccc1....
13 4UMX ic50 = 0.011 uM VVS C22 H30 N4 O CC(C)(C)CC....
14 6BKY ic50 = 270 nM K32 C7 H2 Br4 N2 O c12c(c(c(c....
15 6B0Z ic50 = 0.018 uM C81 C23 H22 F4 N6 O2 Cc1cc(ncc1....
16 6U4J ic50 = 0.0212 uM PWV C18 H15 Cl N4 O2 C[C@@H](C1....
17 6IO0 ic50 = 130 nM AOU C25 H20 Cl2 N2 O4 CC(C)c1c(c....
18 6BKZ ic50 = 120 nM DWM C28 H28 F N5 O3 C[C@@H]1CN....
19 1T0L - ICT C6 H8 O7 C([C@@H]([....
20 4L03 Kd = 0.013 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 5SVF ic50 = 0.22 uM 70P C18 H22 N4 O2 C[C@@H](c1....
22 4KZO Kd = 0.043 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 6BL2 - ICT C6 H8 O7 C([C@@H]([....
24 6O2Z ic50 = 0.072 uM LJV C17 H13 Cl N4 O Cc1c(ccc(n....
25 2QFY - AKG C5 H6 O5 C(CC(=O)O)....
26 2QFV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 4HCX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 5SVN - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 4JA8 - 1K9 C21 H18 F3 N3 O3 S2 c1cc(cc(c1....
30 6ADI ic50 = 31.7 nM 9UO C14 H13 Cl F6 N6 C[C@H](C(F....
31 6VFZ - 9UO C14 H13 Cl F6 N6 C[C@H](C(F....
32 1LWD - ICT C6 H8 O7 C([C@@H]([....
33 5I95 - AKG C5 H6 O5 C(CC(=O)O)....
34 5H3E - ICT C6 H8 O7 C([C@@H]([....
35 5I96 ic50 = 100 nM 69Q C19 H17 F6 N7 O CC(C)(CNc1....
36 5SVO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 2UXR - ICT C6 H8 O7 C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K32; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 K32 1 1
2 K22 0.481481 0.738095
Similar Ligands (3D)
Ligand no: 1; Ligand: K32; Similar ligands found: 710
No: Ligand Similarity coefficient
1 K17 0.9795
2 TBS 0.9783
3 K8X 0.9762
4 209 0.9731
5 H33 0.9686
6 K37 0.9649
7 LI6 0.9573
8 9KT 0.9558
9 TEP 0.9510
10 K6X 0.9504
11 BGC 0.9500
12 BSP 0.9499
13 PHH 0.9497
14 QWW 0.9412
15 3MG 0.9404
16 K3Q 0.9401
17 GCS 0.9400
18 QX2 0.9391
19 NTZ 0.9385
20 GIM 0.9382
21 NDM 0.9374
22 G3F 0.9371
23 8S0 0.9365
24 K25 0.9350
25 GLC 0.9339
26 B57 0.9328
27 HQD 0.9322
28 AEZ 0.9315
29 VK3 0.9301
30 LGC 0.9293
31 680 0.9289
32 IV2 0.9286
33 AZ9 0.9277
34 6RQ 0.9275
35 NQ 0.9265
36 0N7 0.9262
37 ASO 0.9254
38 CFF 0.9254
39 2FQ 0.9249
40 XAZ 0.9249
41 URC 0.9245
42 KIF 0.9237
43 5JQ 0.9236
44 MT5 0.9220
45 JU2 0.9217
46 CLZ 0.9210
47 SHG 0.9208
48 75K 0.9203
49 RXA 0.9202
50 GAL 0.9200
51 NOJ 0.9198
52 E7S 0.9192
53 HTP 0.9190
54 DPZ 0.9188
55 BTY 0.9185
56 PQ0 0.9181
57 RPQ 0.9169
58 5JL 0.9169
59 8TX 0.9162
60 B55 0.9154
61 PFB 0.9149
62 SYA 0.9148
63 CTS 0.9143
64 3PF 0.9135
65 GI3 0.9132
66 QWN 0.9131
67 TTL 0.9131
68 QXW 0.9129
69 7B3 0.9127
70 5WU 0.9126
71 MT0 0.9126
72 NOY 0.9124
73 4AA 0.9120
74 IFL 0.9114
75 MVL 0.9111
76 K44 0.9109
77 2AK 0.9106
78 BEA 0.9105
79 G2F 0.9104
80 DMD 0.9101
81 GCB 0.9098
82 B60 0.9096
83 5QY 0.9096
84 UEG 0.9091
85 X05 0.9088
86 MAQ 0.9083
87 8W9 0.9080
88 PXL 0.9078
89 NAG 0.9077
90 SKA 0.9075
91 FDB 0.9073
92 8IG 0.9071
93 M1Q 0.9070
94 2H5 0.9066
95 4XV 0.9066
96 J5I 0.9066
97 M5K 0.9066
98 M6N 0.9060
99 QBK 0.9059
100 AJ2 0.9057
101 NGO 0.9056
102 4XS 0.9056
103 HZQ 0.9055
104 D48 0.9052
105 EMZ 0.9050
106 SE2 0.9049
107 UAN 0.9047
108 OTW 0.9047
109 G3E 0.9045
110 3RI 0.9040
111 4KL 0.9038
112 7VJ 0.9038
113 SYV 0.9036
114 Q24 0.9036
115 UFO 0.9032
116 INE 0.9030
117 7W1 0.9030
118 82I 0.9030
119 0CU 0.9029
120 1P8 0.9029
121 3ID 0.9028
122 BDP 0.9027
123 GCW 0.9024
124 FLV 0.9023
125 226 0.9023
126 VGD 0.9023
127 DNC 0.9022
128 6VD 0.9019
129 GOX 0.9019
130 MEW 0.9019
131 CLW 0.9018
132 SOR 0.9017
133 NGT 0.9013
134 5QX 0.9013
135 G1P 0.9012
136 PRF 0.9011
137 YH7 0.9008
138 APZ 0.9007
139 BNT 0.9006
140 2D0 0.9004
141 8XQ 0.9003
142 XHP 0.9002
143 JTH 0.9001
144 HQT 0.9000
145 AQO 0.8998
146 BCP 0.8998
147 TOF 0.8997
148 0P6 0.8997
149 6GU 0.8996
150 EVA 0.8996
151 44V 0.8992
152 LKA 0.8992
153 GLA 0.8992
154 36R 0.8991
155 G12 0.8988
156 KJY 0.8987
157 ES2 0.8987
158 AZ8 0.8986
159 CWM 0.8986
160 NDG 0.8986
161 PE0 0.8985
162 Q88 0.8984
163 A7W 0.8983
164 VNL 0.8982
165 1XM 0.8981
166 CN0 0.8980
167 GCU 0.8978
168 4HC 0.8978
169 37T 0.8977
170 8CM 0.8977
171 DQU 0.8976
172 MUA 0.8975
173 KIB 0.8973
174 H5B 0.8972
175 HNQ 0.8971
176 ES0 0.8969
177 2KA 0.8969
178 ZB1 0.8967
179 ZVO 0.8966
180 QPR 0.8965
181 GF4 0.8965
182 Z5P 0.8963
183 GZL 0.8963
184 ODO 0.8961
185 OA3 0.8961
186 9MG 0.8959
187 KT7 0.8957
188 HJP 0.8957
189 6ME 0.8957
190 5RO 0.8956
191 CWS 0.8956
192 4RU 0.8954
193 BOA 0.8952
194 12Q 0.8950
195 495 0.8950
196 DNA 0.8949
197 ET2 0.8948
198 XAN 0.8947
199 TTY 0.8947
200 FDR 0.8947
201 HHA 0.8946
202 DIN 0.8946
203 5VM 0.8943
204 B62 0.8942
205 AZA 0.8942
206 DX4 0.8941
207 4MU 0.8939
208 12B 0.8937
209 2ZQ 0.8936
210 MVN 0.8934
211 67N 0.8934
212 MO8 0.8934
213 X09 0.8933
214 ALL 0.8933
215 MS9 0.8933
216 HH5 0.8932
217 PYQ 0.8932
218 NBG 0.8930
219 0FO 0.8930
220 6AP 0.8929
221 5WY 0.8927
222 3HA 0.8926
223 DNF 0.8925
224 AZG 0.8924
225 44W 0.8923
226 ISE 0.8923
227 FA0 0.8919
228 GUN 0.8919
229 J9Q 0.8918
230 X8D 0.8918
231 JA8 0.8918
232 GJP 0.8917
233 FOT 0.8916
234 AA 0.8916
235 BHA 0.8916
236 1KP 0.8915
237 DHK 0.8915
238 MAN 0.8914
239 CFP 0.8914
240 DOB 0.8914
241 B53 0.8912
242 GSY 0.8911
243 3F0 0.8910
244 SOE 0.8909
245 9LI 0.8907
246 9DG 0.8905
247 2HQ 0.8904
248 KUF 0.8903
249 1HN 0.8903
250 A2F 0.8903
251 NID 0.8902
252 KJU 0.8900
253 6BL 0.8900
254 4M0 0.8900
255 141 0.8900
256 IJZ 0.8897
257 THA 0.8897
258 SWA 0.8897
259 D07 0.8896
260 LOG 0.8895
261 97T 0.8895
262 15E 0.8895
263 E1K 0.8893
264 7ZE 0.8893
265 CWJ 0.8893
266 J9W 0.8892
267 5NU 0.8891
268 5CU 0.8891
269 FH2 0.8890
270 MRW 0.8890
271 R9Y 0.8890
272 PXM 0.8889
273 3M0 0.8888
274 V1T 0.8887
275 N3W 0.8887
276 C2U 0.8887
277 QX4 0.8885
278 PX7 0.8885
279 GDL 0.8885
280 DRL 0.8884
281 EA1 0.8884
282 DIU 0.8883
283 JBK 0.8883
284 X0W 0.8882
285 PH2 0.8881
286 1X7 0.8880
287 2FY 0.8880
288 4ME 0.8879
289 FDK 0.8879
290 AJV 0.8875
291 MXX 0.8872
292 290 0.8871
293 GNM 0.8871
294 M1A 0.8869
295 FE DB1 0.8868
296 IGA 0.8867
297 BMA 0.8865
298 GTZ 0.8863
299 XQ0 0.8863
300 2EC 0.8862
301 GIO 0.8862
302 DBH 0.8862
303 0F9 0.8861
304 39O 0.8860
305 TWO 0.8859
306 HKD 0.8858
307 K2T 0.8858
308 ZYR 0.8858
309 EJZ 0.8857
310 1GN 0.8855
311 7ME 0.8854
312 7WR 0.8853
313 JG8 0.8851
314 8HC 0.8850
315 N8Y 0.8849
316 G1O 0.8848
317 MBG 0.8848
318 7VS 0.8847
319 I6G 0.8846
320 X6X 0.8845
321 5GU 0.8844
322 582 0.8843
323 7NI 0.8842
324 WOO 0.8841
325 ADK 0.8840
326 KYA 0.8838
327 INS 0.8837
328 PEY 0.8835
329 FBB 0.8834
330 ANF 0.8834
331 E3D 0.8834
332 QSH 0.8832
333 HLZ 0.8829
334 FBG 0.8827
335 3Z8 0.8826
336 AKH 0.8824
337 06B 0.8824
338 2D3 0.8824
339 6M1 0.8823
340 3DM 0.8822
341 94W 0.8818
342 5Q0 0.8818
343 ZWZ 0.8818
344 42C 0.8816
345 GDE 0.8815
346 86J 0.8813
347 3QV 0.8813
348 HQY 0.8813
349 FGZ 0.8812
350 5SG 0.8811
351 9R5 0.8809
352 4JQ 0.8805
353 JBQ 0.8805
354 YIO 0.8805
355 GIV 0.8805
356 HHR 0.8805
357 ONR 0.8805
358 IPB 0.8804
359 DBJ 0.8804
360 39A 0.8804
361 M1H 0.8803
362 9FL 0.8803
363 2FG 0.8802
364 Q6T 0.8802
365 6F0 0.8802
366 GXY 0.8800
367 AY4 0.8800
368 M2K 0.8799
369 DK1 0.8798
370 GRE 0.8797
371 MQN 0.8796
372 03V 0.8794
373 DGJ 0.8794
374 7MX 0.8794
375 8WT 0.8793
376 5IQ 0.8793
377 2AQ 0.8793
378 9AP 0.8792
379 4XH 0.8792
380 4HM 0.8790
381 KJH 0.8790
382 3MA 0.8790
383 8ZE 0.8788
384 2ZV 0.8787
385 M0Q 0.8786
386 4YO 0.8785
387 ES5 0.8785
388 XQK 0.8782
389 PCI 0.8781
390 2JK 0.8780
391 149 0.8778
392 8WO 0.8776
393 UNC 0.8776
394 F12 0.8775
395 ICO 0.8775
396 ES1 0.8773
397 HQJ 0.8772
398 4FS 0.8772
399 8NX 0.8772
400 3FH 0.8771
401 52C 0.8771
402 F81 0.8770
403 GTR 0.8769
404 HIS 0.8769
405 5RN 0.8768
406 R8V 0.8767
407 AX7 0.8767
408 7B4 0.8766
409 F31 0.8766
410 23A 0.8764
411 0TU 0.8764
412 1NP 0.8763
413 9PY 0.8763
414 VXX 0.8761
415 AMG 0.8760
416 537 0.8760
417 4TU 0.8760
418 PBR 0.8760
419 1SQ 0.8759
420 3IT 0.8759
421 CH9 0.8758
422 15N 0.8758
423 0JD 0.8757
424 ESI 0.8757
425 0FK 0.8756
426 BPY 0.8756
427 N2I 0.8755
428 DQN 0.8755
429 3J8 0.8754
430 KLK 0.8754
431 SHA 0.8754
432 PDC 0.8753
433 O72 0.8752
434 COU 0.8752
435 IBF 0.8752
436 JLZ 0.8750
437 QSB 0.8749
438 HH8 0.8749
439 OCH 0.8748
440 9CA 0.8747
441 1LM 0.8746
442 8MO 0.8745
443 JUG 0.8745
444 P9P 0.8745
445 1IT 0.8744
446 ADA 0.8744
447 27B 0.8744
448 V55 0.8743
449 GXL 0.8742
450 4M4 0.8742
451 EUG 0.8742
452 N5J 0.8742
453 F3B 0.8742
454 270 0.8741
455 6NT 0.8740
456 H42 0.8739
457 GAF 0.8739
458 IHB 0.8738
459 AJY 0.8737
460 LDR 0.8737
461 12T 0.8736
462 3WA 0.8735
463 5WV 0.8735
464 PRZ 0.8735
465 KKN 0.8734
466 CKA 0.8732
467 DRG 0.8731
468 LT2 0.8731
469 CHB 0.8731
470 4YS 0.8730
471 0FN 0.8729
472 AHR 0.8728
473 293 0.8725
474 MYJ 0.8724
475 M0W 0.8724
476 0W8 0.8723
477 2A9 0.8723
478 JB5 0.8723
479 F2W 0.8721
480 J6W 0.8720
481 6CS 0.8720
482 NDH 0.8720
483 0HO 0.8720
484 2F6 0.8719
485 AN3 0.8718
486 BZ3 0.8717
487 PJW 0.8716
488 1LQ 0.8716
489 4NC 0.8716
490 BBF 0.8715
491 4AN 0.8711
492 IBM 0.8711
493 C2Y 0.8709
494 5OB 0.8708
495 3HM 0.8708
496 RM1 0.8706
497 F0J 0.8705
498 FA6 0.8705
499 HFB 0.8705
500 XM5 0.8703
501 INO 0.8703
502 92P 0.8703
503 2LY 0.8702
504 8NY 0.8701
505 JPZ 0.8701
506 H4N 0.8701
507 2MI 0.8700
508 BA5 0.8700
509 ES9 0.8699
510 5XC 0.8698
511 4Z4 0.8697
512 KDV 0.8697
513 GJS 0.8696
514 4A3 0.8696
515 344 0.8696
516 5WX 0.8696
517 EQT 0.8695
518 93K 0.8693
519 BPU 0.8693
520 FHB 0.8693
521 11S 0.8691
522 9TW 0.8691
523 FA3 0.8690
524 K97 0.8690
525 XIY 0.8690
526 I3A 0.8689
527 FK1 0.8689
528 ES7 0.8686
529 SXS 0.8686
530 24W 0.8685
531 HLD 0.8684
532 DHB 0.8682
533 JKZ 0.8681
534 2HO 0.8679
535 P92 0.8678
536 FUD 0.8677
537 SYR 0.8675
538 M4E 0.8674
539 CTL 0.8673
540 XQG 0.8669
541 7W4 0.8667
542 5MI 0.8667
543 3NY 0.8667
544 67X 0.8666
545 B56 0.8666
546 M1E 0.8665
547 6AI 0.8665
548 5NE 0.8665
549 Q71 0.8664
550 EN1 0.8664
551 MR1 0.8664
552 GV9 0.8663
553 L5V 0.8663
554 JAW 0.8662
555 ISN 0.8662
556 KOJ 0.8661
557 4VS 0.8660
558 4FH 0.8658
559 F9Y 0.8655
560 3A9 0.8655
561 18N 0.8655
562 BZX 0.8653
563 BCF 0.8653
564 14O 0.8653
565 7I2 0.8653
566 2K4 0.8653
567 0HN 0.8651
568 NNO 0.8651
569 F60 0.8650
570 10L 0.8650
571 32X 0.8650
572 0XT 0.8649
573 JYB 0.8648
574 X0U 0.8648
575 1M2 0.8647
576 5MB 0.8647
577 6QF 0.8646
578 A29 0.8646
579 GTQ 0.8643
580 AIN 0.8643
581 TH7 0.8642
582 5H1 0.8641
583 5NI 0.8641
584 ABV 0.8641
585 DHQ 0.8640
586 2ZM 0.8639
587 ABI 0.8639
588 54G 0.8639
589 ADZ 0.8639
590 G6D 0.8638
591 NPO 0.8637
592 1DW 0.8636
593 6NI 0.8636
594 QAT 0.8636
595 2HU 0.8633
596 E1T 0.8630
597 1F1 0.8630
598 6KT 0.8630
599 T6C 0.8629
600 1U6 0.8629
601 UFV 0.8628
602 25W 0.8628
603 P3K 0.8628
604 HPA 0.8627
605 7MU 0.8627
606 39U 0.8626
607 Q7A 0.8625
608 PQK 0.8625
609 4XR 0.8623
610 TGX 0.8622
611 TIY 0.8621
612 CKU 0.8620
613 XYP 0.8619
614 JDN 0.8618
615 JR2 0.8618
616 5RG 0.8616
617 ES4 0.8615
618 NGA 0.8614
619 7WA 0.8613
620 FYU 0.8613
621 7MH 0.8612
622 BP1 0.8611
623 6MP 0.8611
624 5M0 0.8610
625 JXN 0.8610
626 KTW 0.8610
627 4BY 0.8610
628 ZZT 0.8605
629 JB8 0.8605
630 XFE 0.8604
631 HMH 0.8604
632 BTE 0.8603
633 ADE 0.8603
634 IFP 0.8602
635 B5D 0.8601
636 BE2 0.8601
637 Q77 0.8600
638 FP1 0.8600
639 TT4 0.8600
640 30G 0.8599
641 261 0.8592
642 KGK 0.8589
643 SN4 0.8588
644 4P5 0.8588
645 LXC 0.8587
646 57O 0.8586
647 HHS 0.8586
648 FRU 0.8585
649 SAL 0.8585
650 5NS 0.8584
651 SWD 0.8584
652 HBD 0.8583
653 YSO 0.8583
654 8NB 0.8583
655 TQU 0.8583
656 O2A 0.8583
657 UQ 0.8583
658 7HP 0.8581
659 9ZE 0.8580
660 LT8 0.8580
661 E5X 0.8579
662 GOG 0.8579
663 I3C 0.8578
664 PM6 0.8578
665 0W1 0.8578
666 ANC 0.8575
667 SLS 0.8574
668 0GZ 0.8570
669 F4E 0.8570
670 1P7 0.8570
671 DX3 0.8569
672 K5W 0.8568
673 L46 0.8568
674 LZM 0.8568
675 DPT 0.8564
676 XXP 0.8562
677 HA5 0.8555
678 SKM 0.8555
679 1XN 0.8555
680 JIF 0.8555
681 3ZB 0.8555
682 5B1 0.8554
683 JKE 0.8554
684 28N 0.8553
685 AX3 0.8553
686 UNJ 0.8552
687 68A 0.8552
688 8GK 0.8550
689 OVM 0.8550
690 GYE 0.8547
691 PBZ 0.8547
692 64C 0.8544
693 OXC 0.8544
694 4BL 0.8541
695 SG2 0.8541
696 L7T 0.8540
697 826 0.8537
698 ANN 0.8535
699 6XI 0.8535
700 42A 0.8530
701 NPY 0.8529
702 AC6 0.8528
703 W81 0.8527
704 JFD 0.8525
705 HMU 0.8515
706 X0V 0.8515
707 2CL 0.8514
708 JXW 0.8511
709 XM0 0.8506
710 5VJ 0.8503
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UMX; Ligand: NAP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4umx.bio1) has 284 residues
No: Leader PDB Ligand Sequence Similarity
1 5YVT NAI 26.8362
Pocket No.: 2; Query (leader) PDB : 4UMX; Ligand: NAP; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 4umx.bio1) has 287 residues
No: Leader PDB Ligand Sequence Similarity
1 5YVT NAI 26.8362
Pocket No.: 3; Query (leader) PDB : 4UMX; Ligand: VVS; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 4umx.bio1) has 285 residues
No: Leader PDB Ligand Sequence Similarity
1 5YVT NAI 26.8362
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