Receptor
PDB id Resolution Class Description Source Keywords
6E42 2.1 Å EC: 1.13.11.52 CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (ID COMPLEX WITH FERRIC HEME AND 4-CHLOROPHENYL IMIDAZOLE HOMO SAPIENS IDO1 4-CHLOROPHENYL IMIDAZOLE INHIBITOR COMPLEX OXIDOREDUOXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: HIGH-RESOLUTION STRUCTURES OF INHIBITOR COMPLEXES O INDOLEAMINE 2,3-DIOXYGENASE 1 IN A NEW CRYSTAL FORM ACTA CRYSTALLOGR F STRUCT V. 74 717 2018 BIOL COMMUN
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM C:501;
A:501;
D:501;
B:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PO4 D:505;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
HQJ B:504;
B:502;
D:504;
A:502;
A:504;
C:502;
D:502;
C:506;
B:505;
C:505;
A:503;
C:504;
D:503;
B:503;
A:505;
C:503;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
178.618 C9 H7 Cl N2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6WJY 1.91 Å EC: 1.13.11.52 HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A HOMO SAPIENS INDOLEAMINE DIOXYGENASE HEME INHIBITOR OXIDOREDUCTASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF POTENT AND ORALLY AVAILABLE BICYCLO[1.1.1]PENTANE-DERIVED INDOLEAMINE-2,3-DIOXY (IDO1) INHIBITORS. ACS MED.CHEM.LETT. V. 11 1548 2020
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6WJY ic50 = 3.1 nM U41 C21 H20 Cl F N2 O2 C[C@H](C(=....
2 6F0A ic50 = 11.3 mM C82 C8 H7 Cl N4 c1cc(ccc1N....
3 6KPS ic50 = 102.1 nM DU6 C19 H15 N5 O S c1cc(ccc1C....
4 6E40 - BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
5 5WN8 - BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
6 6CXU - TRP C11 H12 N2 O2 c1ccc2c(c1....
7 6KOF ic50 = 16.4 nM DO9 C19 H15 N5 S2 c1cc(ccc1C....
8 5EK3 ic50 = 38 nM 5PK C18 H22 N2 O c1ccc2c(c1....
9 6E43 - BEZ C7 H6 O2 c1ccc(cc1)....
10 6PU7 ic50 = 35 nM OY4 C15 H16 F N5 O3 S CC(=O)NCCS....
11 2D0T - PIM C9 H8 N2 c1ccc(cc1)....
12 6E42 - HQJ C9 H7 Cl N2 c1cc(cc(c1....
13 6E41 - HQS C11 H12 Br F N6 O4 S2 c1cc(c(cc1....
14 6V52 - QPV C21 H23 Cl N2 O2 CCCNC(=O)C....
15 5WHR ic50 = 0.12 uM AOJ C12 H9 F N2 O2 c1cc2c(cc1....
16 5WMU Kd = 26 mM TRP C11 H12 N2 O2 c1ccc2c(c1....
17 6E46 - TRP C11 H12 N2 O2 c1ccc2c(c1....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6WJY ic50 = 3.1 nM U41 C21 H20 Cl F N2 O2 C[C@H](C(=....
2 6F0A ic50 = 11.3 mM C82 C8 H7 Cl N4 c1cc(ccc1N....
3 6KPS ic50 = 102.1 nM DU6 C19 H15 N5 O S c1cc(ccc1C....
4 6E40 - BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
5 5WN8 - BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
6 6CXU - TRP C11 H12 N2 O2 c1ccc2c(c1....
7 6KOF ic50 = 16.4 nM DO9 C19 H15 N5 S2 c1cc(ccc1C....
8 5EK3 ic50 = 38 nM 5PK C18 H22 N2 O c1ccc2c(c1....
9 6E43 - BEZ C7 H6 O2 c1ccc(cc1)....
10 6PU7 ic50 = 35 nM OY4 C15 H16 F N5 O3 S CC(=O)NCCS....
11 2D0T - PIM C9 H8 N2 c1ccc(cc1)....
12 6E42 - HQJ C9 H7 Cl N2 c1cc(cc(c1....
13 6E41 - HQS C11 H12 Br F N6 O4 S2 c1cc(c(cc1....
14 6V52 - QPV C21 H23 Cl N2 O2 CCCNC(=O)C....
15 5WHR ic50 = 0.12 uM AOJ C12 H9 F N2 O2 c1cc2c(cc1....
16 5WMU Kd = 26 mM TRP C11 H12 N2 O2 c1ccc2c(c1....
17 6E46 - TRP C11 H12 N2 O2 c1ccc2c(c1....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6WJY ic50 = 3.1 nM U41 C21 H20 Cl F N2 O2 C[C@H](C(=....
2 6F0A ic50 = 11.3 mM C82 C8 H7 Cl N4 c1cc(ccc1N....
3 6KPS ic50 = 102.1 nM DU6 C19 H15 N5 O S c1cc(ccc1C....
4 6E40 - BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
5 5WN8 - BBJ C11 H13 Br F N7 O4 S c1cc(c(cc1....
6 6CXU - TRP C11 H12 N2 O2 c1ccc2c(c1....
7 6KOF ic50 = 16.4 nM DO9 C19 H15 N5 S2 c1cc(ccc1C....
8 5EK3 ic50 = 38 nM 5PK C18 H22 N2 O c1ccc2c(c1....
9 6E43 - BEZ C7 H6 O2 c1ccc(cc1)....
10 6PU7 ic50 = 35 nM OY4 C15 H16 F N5 O3 S CC(=O)NCCS....
11 2D0T - PIM C9 H8 N2 c1ccc(cc1)....
12 6E42 - HQJ C9 H7 Cl N2 c1cc(cc(c1....
13 6E41 - HQS C11 H12 Br F N6 O4 S2 c1cc(c(cc1....
14 6V52 - QPV C21 H23 Cl N2 O2 CCCNC(=O)C....
15 5WHR ic50 = 0.12 uM AOJ C12 H9 F N2 O2 c1cc2c(cc1....
16 5WMU Kd = 26 mM TRP C11 H12 N2 O2 c1ccc2c(c1....
17 6E46 - TRP C11 H12 N2 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HQJ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HQJ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: HQJ; Similar ligands found: 1324
No: Ligand Similarity coefficient
1 L5V 1.0000
2 INO 1.0000
3 6TZ 0.9987
4 R20 0.9963
5 PIM 0.9801
6 0F9 0.9785
7 XDK 0.9781
8 ONR 0.9763
9 M3H 0.9746
10 PIY 0.9745
11 4V2 0.9715
12 BNL 0.9691
13 A29 0.9682
14 J9Q 0.9677
15 M1Z 0.9668
16 97T 0.9651
17 2F6 0.9638
18 N3W 0.9634
19 MPV 0.9628
20 IWT 0.9622
21 J9T 0.9607
22 L22 0.9602
23 M45 0.9571
24 069 0.9567
25 7MU 0.9566
26 HIS 0.9564
27 TT4 0.9560
28 52C 0.9557
29 45L 0.9556
30 JG8 0.9552
31 IHB 0.9549
32 BZE 0.9549
33 0BP 0.9536
34 4PN 0.9536
35 D3G 0.9534
36 7VP 0.9529
37 MSR 0.9526
38 6RQ 0.9523
39 MYJ 0.9520
40 HX4 0.9518
41 NCT 0.9515
42 GVG 0.9508
43 QSB 0.9503
44 795 0.9502
45 BPY 0.9497
46 CHB 0.9497
47 N2Z 0.9496
48 0W1 0.9492
49 5GU 0.9492
50 J5I 0.9490
51 DHB 0.9488
52 AY4 0.9485
53 K34 0.9484
54 CWJ 0.9484
55 3PF 0.9477
56 G3E 0.9477
57 9CA 0.9475
58 1IT 0.9473
59 4ZA 0.9472
60 HHI 0.9472
61 P9P 0.9472
62 4P5 0.9471
63 9FL 0.9466
64 SE2 0.9464
65 TZF 0.9462
66 94W 0.9462
67 4WL 0.9459
68 9TW 0.9458
69 FHB 0.9458
70 F4E 0.9458
71 CH9 0.9457
72 D48 0.9454
73 6FZ 0.9452
74 SNU 0.9451
75 BZ2 0.9449
76 VNL 0.9447
77 4A3 0.9447
78 DE5 0.9446
79 L99 0.9444
80 N2I 0.9441
81 BCU 0.9438
82 4NC 0.9438
83 XX2 0.9438
84 93K 0.9434
85 463 0.9432
86 CFI 0.9430
87 PJW 0.9428
88 NNO 0.9427
89 C1M 0.9426
90 CPZ 0.9424
91 2AL 0.9423
92 BZJ 0.9422
93 1A7 0.9421
94 ES2 0.9420
95 PHU 0.9417
96 ESP 0.9415
97 GZ2 0.9413
98 36Y 0.9412
99 GAB 0.9411
100 LNR 0.9409
101 2HO 0.9407
102 3HM 0.9407
103 0HO 0.9405
104 4CS 0.9405
105 LEL 0.9404
106 R2P 0.9402
107 ICB 0.9401
108 2HU 0.9400
109 KJU 0.9397
110 2ZM 0.9397
111 VXX 0.9395
112 F31 0.9394
113 CLW 0.9392
114 HA5 0.9390
115 JLZ 0.9390
116 XYH 0.9389
117 0HN 0.9389
118 OVM 0.9389
119 ESI 0.9389
120 8WO 0.9388
121 VGD 0.9387
122 PO6 0.9385
123 DHI 0.9385
124 0NX 0.9385
125 6NT 0.9383
126 LT2 0.9382
127 3HB 0.9379
128 173 0.9377
129 5NI 0.9376
130 3ID 0.9373
131 EWG 0.9371
132 6NI 0.9369
133 DMD 0.9368
134 3A9 0.9367
135 GDE 0.9367
136 4FH 0.9365
137 OW4 0.9365
138 1F1 0.9364
139 5XC 0.9364
140 HJH 0.9363
141 T2D 0.9363
142 SKM 0.9363
143 ET2 0.9362
144 PRZ 0.9361
145 M4T 0.9359
146 GF4 0.9356
147 1P8 0.9356
148 0JD 0.9356
149 JA8 0.9355
150 OVV 0.9355
151 5QY 0.9355
152 36R 0.9354
153 15N 0.9350
154 ABI 0.9345
155 ISZ 0.9345
156 D2G 0.9344
157 BZ3 0.9344
158 KTA 0.9342
159 DIN 0.9342
160 QUS 0.9341
161 9FE 0.9335
162 4XF 0.9334
163 EXD 0.9334
164 J9N 0.9334
165 CK2 0.9333
166 X0V 0.9331
167 FBB 0.9331
168 2HC 0.9330
169 PAC 0.9329
170 JAW 0.9328
171 3BZ 0.9328
172 2HQ 0.9328
173 46P 0.9327
174 3MB 0.9327
175 TIH 0.9327
176 WCE 0.9326
177 K2T 0.9325
178 92K 0.9324
179 8NX 0.9324
180 M5H 0.9324
181 NMJ 0.9323
182 ALE 0.9322
183 TZM 0.9321
184 VM1 0.9317
185 RUY 0.9316
186 3NT 0.9314
187 GZL 0.9312
188 X48 0.9309
189 BRT 0.9309
190 JF6 0.9309
191 5OB 0.9307
192 BP7 0.9307
193 NIZ 0.9304
194 OMD 0.9301
195 Z5P 0.9298
196 AX3 0.9298
197 5F5 0.9298
198 YTX 0.9297
199 ASC 0.9296
200 428 0.9295
201 3NY 0.9294
202 0N7 0.9294
203 15E 0.9294
204 QSH 0.9292
205 BHO 0.9291
206 PZI 0.9291
207 492 0.9289
208 ESX 0.9289
209 SAF 0.9289
210 344 0.9288
211 AKG 0.9288
212 KTW 0.9285
213 S2P 0.9285
214 A5E 0.9285
215 SYV 0.9285
216 FUD 0.9281
217 PPY 0.9281
218 1WC 0.9281
219 HSO 0.9279
220 TYL 0.9279
221 AOT 0.9279
222 61M 0.9277
223 4MU 0.9276
224 JDN 0.9276
225 60L 0.9275
226 A7W 0.9272
227 TIU 0.9271
228 4BL 0.9270
229 K97 0.9270
230 03V 0.9269
231 12T 0.9268
232 E1T 0.9267
233 GOJ 0.9266
234 JB5 0.9266
235 JB8 0.9266
236 3AB 0.9264
237 OGA 0.9262
238 HQD 0.9261
239 QWN 0.9261
240 KTJ 0.9259
241 EDR 0.9259
242 X11 0.9256
243 BEA 0.9256
244 DNF 0.9255
245 8ZE 0.9255
246 IFP 0.9255
247 5HN 0.9255
248 OCH 0.9254
249 CXH 0.9253
250 MQN 0.9250
251 KUF 0.9250
252 7WR 0.9249
253 4JQ 0.9249
254 SLS 0.9248
255 TCA 0.9248
256 E7S 0.9248
257 COU 0.9246
258 53C 0.9245
259 2AQ 0.9244
260 0TU 0.9244
261 NF3 0.9242
262 L13 0.9242
263 OVP 0.9241
264 SQV 0.9240
265 6QF 0.9239
266 3QV 0.9239
267 363 0.9239
268 XIY 0.9239
269 9ZE 0.9238
270 8GC 0.9238
271 AZ9 0.9238
272 ES5 0.9238
273 P80 0.9238
274 92P 0.9235
275 9R5 0.9234
276 AN3 0.9234
277 CK1 0.9234
278 FBM 0.9234
279 4BY 0.9231
280 5JQ 0.9231
281 7O4 0.9230
282 A9P 0.9230
283 1M2 0.9228
284 PKU 0.9228
285 M3E 0.9228
286 RJY 0.9226
287 2BG 0.9225
288 HDH 0.9224
289 5VM 0.9222
290 AJV 0.9221
291 S2G 0.9221
292 2FQ 0.9220
293 E5X 0.9219
294 URC 0.9218
295 4AV 0.9218
296 75K 0.9218
297 FGZ 0.9217
298 AVI 0.9217
299 RKV 0.9216
300 TPA 0.9216
301 XQ0 0.9216
302 MUA 0.9216
303 4FS 0.9215
304 C2Y 0.9214
305 XIZ 0.9213
306 GJZ 0.9212
307 DHK 0.9212
308 4SX 0.9209
309 9UL 0.9208
310 HIC 0.9208
311 36E 0.9208
312 H4E 0.9207
313 HC4 0.9207
314 2O6 0.9205
315 1Z6 0.9205
316 J6W 0.9205
317 92G 0.9205
318 FEH 0.9204
319 R9Y 0.9204
320 EA1 0.9203
321 UNJ 0.9202
322 M6H 0.9201
323 3ZB 0.9201
324 AJY 0.9201
325 1XA 0.9201
326 HCI 0.9199
327 3HP 0.9199
328 8WT 0.9198
329 ANC 0.9196
330 5VL 0.9196
331 QXW 0.9195
332 SHA 0.9195
333 3QM 0.9191
334 XAZ 0.9190
335 N8Y 0.9190
336 TWO 0.9189
337 4YO 0.9188
338 5RO 0.9188
339 QMP 0.9185
340 NYL 0.9185
341 MRW 0.9184
342 EKZ 0.9184
343 1L5 0.9184
344 263 0.9183
345 JRB 0.9181
346 30G 0.9180
347 0W8 0.9180
348 ORO 0.9179
349 X0W 0.9178
350 8OZ 0.9178
351 ZME 0.9177
352 4LW 0.9176
353 GO2 0.9176
354 XQI 0.9172
355 PEY 0.9171
356 EN1 0.9171
357 AVA 0.9170
358 3OC 0.9169
359 H42 0.9168
360 3C5 0.9165
361 2HG 0.9165
362 51R 0.9164
363 4JT 0.9162
364 HNL 0.9162
365 HNK 0.9162
366 TGX 0.9162
367 MPK 0.9162
368 4ME 0.9161
369 HGA 0.9161
370 F9P 0.9160
371 I1E 0.9160
372 3AL 0.9160
373 86J 0.9159
374 PHE 0.9158
375 UFV 0.9157
376 RM1 0.9157
377 GLN 0.9157
378 RAT 0.9156
379 F2W 0.9156
380 5F8 0.9155
381 ZXD 0.9154
382 LDP 0.9151
383 HHA 0.9151
384 BIK 0.9151
385 JP2 0.9149
386 6ME 0.9149
387 KT7 0.9148
388 4AA 0.9148
389 YZM 0.9148
390 A9O 0.9147
391 SRO 0.9146
392 HPS 0.9144
393 KKN 0.9144
394 6KT 0.9142
395 1X4 0.9141
396 P7Y 0.9141
397 2LY 0.9140
398 DQU 0.9139
399 E35 0.9137
400 K80 0.9135
401 IAC 0.9134
402 4XV 0.9134
403 3BU 0.9133
404 2AK 0.9133
405 JFJ 0.9132
406 1AL 0.9131
407 ANN 0.9131
408 A3M 0.9129
409 DEW 0.9128
410 DHS 0.9128
411 PHB 0.9128
412 4NM 0.9126
413 R1P 0.9125
414 FBW 0.9125
415 KDV 0.9124
416 MXD 0.9123
417 AL0 0.9123
418 OTW 0.9122
419 HQT 0.9120
420 HLZ 0.9120
421 OXC 0.9120
422 CWM 0.9119
423 M2K 0.9115
424 BQ2 0.9114
425 5JL 0.9114
426 268 0.9113
427 SSC 0.9112
428 M4E 0.9111
429 AX7 0.9110
430 ZYR 0.9110
431 78Y 0.9108
432 B4O 0.9108
433 FK8 0.9107
434 AW5 0.9107
435 TAG 0.9105
436 HHH 0.9105
437 0A9 0.9104
438 34D 0.9104
439 2FY 0.9103
440 FDR 0.9103
441 NPO 0.9103
442 HL5 0.9100
443 Q88 0.9098
444 ABV 0.9097
445 MR1 0.9097
446 GLU 0.9097
447 DHY 0.9096
448 GJP 0.9096
449 SHI 0.9095
450 3HA 0.9095
451 PAB 0.9095
452 3C4 0.9095
453 TTL 0.9094
454 4HC 0.9094
455 V55 0.9094
456 HBD 0.9094
457 ES0 0.9091
458 AJ2 0.9091
459 PD2 0.9090
460 0LO 0.9090
461 5FL 0.9089
462 DC5 0.9089
463 ICO 0.9088
464 GNM 0.9088
465 IOS 0.9087
466 12Q 0.9087
467 LL1 0.9087
468 4XS 0.9086
469 4BZ 0.9086
470 M6N 0.9085
471 39O 0.9085
472 KYA 0.9085
473 AOS 0.9084
474 8TX 0.9084
475 I3A 0.9084
476 1VK 0.9083
477 FA0 0.9082
478 YPN 0.9081
479 2MI 0.9081
480 KDG 0.9080
481 DOB 0.9080
482 1HN 0.9079
483 XM0 0.9079
484 LPK 0.9078
485 44W 0.9078
486 PQK 0.9076
487 IV2 0.9076
488 OTR 0.9076
489 GTQ 0.9076
490 L03 0.9075
491 692 0.9075
492 HFA 0.9074
493 DBH 0.9074
494 BGC 0.9074
495 NFA 0.9072
496 X0U 0.9072
497 FIX 0.9072
498 URO 0.9071
499 M0Q 0.9071
500 M1H 0.9071
501 RMN 0.9071
502 ES7 0.9069
503 5B1 0.9068
504 Q24 0.9068
505 NDG 0.9066
506 270 0.9066
507 HDL 0.9065
508 4LV 0.9065
509 BHA 0.9064
510 MAJ 0.9064
511 F9Y 0.9064
512 5RN 0.9063
513 DA4 0.9062
514 HF2 0.9062
515 28N 0.9061
516 OK7 0.9061
517 KMH 0.9061
518 XDE 0.9060
519 BDP 0.9060
520 KOJ 0.9060
521 FHC 0.9059
522 EOU 0.9057
523 4RU 0.9057
524 CWS 0.9057
525 B55 0.9056
526 AQO 0.9056
527 5NU 0.9055
528 PDC 0.9055
529 QX4 0.9054
530 1P7 0.9054
531 1KP 0.9054
532 MEW 0.9054
533 5CU 0.9054
534 M5K 0.9053
535 5LA 0.9052
536 F0J 0.9052
537 5QX 0.9052
538 3M0 0.9051
539 MVN 0.9051
540 AH8 0.9050
541 4I8 0.9049
542 1Y6 0.9048
543 4NB 0.9048
544 BTY 0.9047
545 DGL 0.9046
546 2IT 0.9046
547 I3E 0.9046
548 A13 0.9045
549 DRG 0.9044
550 DOR 0.9044
551 GGL 0.9043
552 DGN 0.9043
553 8U3 0.9042
554 7Q1 0.9042
555 XHP 0.9042
556 2K4 0.9042
557 CN0 0.9041
558 M6Z 0.9040
559 ISN 0.9040
560 SMN 0.9039
561 3F0 0.9039
562 U7E 0.9038
563 5TZ 0.9038
564 PNZ 0.9038
565 D1X 0.9038
566 X6P 0.9038
567 5WV 0.9037
568 8CM 0.9037
569 7BC 0.9036
570 717 0.9036
571 B85 0.9035
572 1P3 0.9035
573 8G0 0.9035
574 PBZ 0.9034
575 4M0 0.9034
576 8HC 0.9033
577 ODO 0.9032
578 7VS 0.9031
579 0P6 0.9031
580 14O 0.9031
581 M1Q 0.9031
582 44V 0.9030
583 8W9 0.9029
584 HBO 0.9029
585 DPN 0.9029
586 X05 0.9029
587 GUA 0.9028
588 F12 0.9027
589 0FK 0.9027
590 PQ0 0.9027
591 P72 0.9026
592 5H1 0.9026
593 JAE 0.9026
594 4VY 0.9025
595 5MI 0.9025
596 8NB 0.9025
597 OW7 0.9024
598 6VD 0.9024
599 LSQ 0.9024
600 7OD 0.9023
601 EV0 0.9023
602 AEH 0.9021
603 36M 0.9021
604 BEZ 0.9021
605 5XB 0.9020
606 XQK 0.9020
607 GCO 0.9019
608 AHN 0.9019
609 1BN 0.9019
610 PBA 0.9018
611 NDH 0.9017
612 C82 0.9017
613 E7Z 0.9016
614 AMH 0.9016
615 PRO GLY 0.9016
616 SW7 0.9015
617 PRA 0.9015
618 PUE 0.9015
619 LJ3 0.9014
620 42J 0.9013
621 J9W 0.9013
622 F60 0.9011
623 SN4 0.9010
624 259 0.9010
625 FE DB1 0.9010
626 11S 0.9010
627 AC6 0.9009
628 826 0.9007
629 CXF 0.9007
630 H7Y 0.9007
631 NGO 0.9007
632 0FO 0.9007
633 DI6 0.9006
634 0XT 0.9005
635 7W1 0.9005
636 SOR 0.9004
637 B40 0.9004
638 MXN 0.9004
639 FBU 0.9003
640 FF2 0.9002
641 2D3 0.9002
642 4M4 0.9001
643 EUG 0.9001
644 293 0.9001
645 B2T 0.9000
646 4TU 0.9000
647 3R4 0.9000
648 4Z4 0.8998
649 SOV 0.8998
650 LFQ 0.8998
651 7HQ 0.8996
652 G14 0.8995
653 LQ2 0.8995
654 NCA 0.8994
655 URS 0.8994
656 JBK 0.8994
657 6XI 0.8994
658 GRO 0.8993
659 RNT 0.8993
660 JR2 0.8992
661 FK1 0.8992
662 H4N 0.8992
663 C53 0.8991
664 GLY GLY 0.8991
665 B62 0.8990
666 QIC 0.8990
667 RD4 0.8989
668 AZ8 0.8989
669 4MA 0.8988
670 EGR 0.8988
671 2A9 0.8988
672 ONL 0.8987
673 4HM 0.8986
674 GVY 0.8985
675 56D 0.8983
676 54G 0.8983
677 6DP 0.8982
678 5LD 0.8982
679 GYE 0.8982
680 PH3 0.8982
681 MJ2 0.8982
682 4FA 0.8982
683 SWA 0.8981
684 OKG 0.8981
685 GTR 0.8980
686 33S 0.8979
687 XCG 0.8979
688 BPU 0.8977
689 FA1 0.8976
690 5MB 0.8976
691 QY9 0.8975
692 A5H 0.8975
693 MS9 0.8974
694 DS0 0.8974
695 2CK 0.8973
696 8XL 0.8972
697 9RW 0.8971
698 XCZ 0.8970
699 DBJ 0.8970
700 XYL 0.8969
701 RB5 0.8969
702 AMQ 0.8969
703 3Z8 0.8968
704 APZ 0.8968
705 DIR 0.8967
706 PE0 0.8967
707 8NY 0.8966
708 GLO 0.8965
709 SKA 0.8964
710 P92 0.8962
711 SRT 0.8962
712 7I2 0.8962
713 ODK 0.8962
714 S7A 0.8962
715 2UZ 0.8960
716 2D0 0.8960
717 MLT 0.8960
718 9ON 0.8959
719 C9E 0.8959
720 ES9 0.8959
721 BEN 0.8959
722 FAN 0.8958
723 6J9 0.8958
724 HL4 0.8957
725 SVD 0.8956
726 CTL 0.8955
727 GV9 0.8955
728 ZZA 0.8955
729 7ME 0.8951
730 DHR 0.8951
731 ADA 0.8949
732 PBC 0.8949
733 GLC 0.8949
734 3FH 0.8948
735 ANF 0.8948
736 CXP 0.8947
737 MNP 0.8947
738 R9S 0.8947
739 HNH 0.8946
740 5TY 0.8945
741 LDR 0.8945
742 209 0.8945
743 6FB 0.8944
744 K3Q 0.8943
745 5RG 0.8942
746 X6W 0.8941
747 1LQ 0.8940
748 S60 0.8939
749 N7I 0.8938
750 PH2 0.8938
751 LYL 0.8937
752 BNF 0.8936
753 BZX 0.8936
754 7MW 0.8935
755 V2Z 0.8935
756 PSJ 0.8935
757 SQ4 0.8934
758 PFF 0.8933
759 6M9 0.8933
760 DNC 0.8933
761 D1G 0.8932
762 VOH 0.8932
763 Q02 0.8932
764 BK9 0.8932
765 152 0.8931
766 BGU 0.8931
767 KJH 0.8931
768 6AI 0.8930
769 TYR 0.8930
770 5M0 0.8929
771 HG3 0.8928
772 7ZL 0.8928
773 HX3 0.8927
774 6HO 0.8927
775 24W 0.8926
776 5DL 0.8925
777 F4K 0.8925
778 7WG 0.8924
779 NIO 0.8923
780 15L 0.8923
781 AKH 0.8923
782 7R4 0.8923
783 5GT 0.8922
784 CFA 0.8922
785 GWM 0.8922
786 FTV 0.8922
787 SYA 0.8921
788 XBT 0.8921
789 X1R 0.8920
790 5SG 0.8920
791 MOK 0.8919
792 258 0.8918
793 UNU 0.8918
794 O2A 0.8917
795 PEA 0.8917
796 9AP 0.8915
797 APG 0.8915
798 091 0.8915
799 23J 0.8915
800 DHC 0.8915
801 DAL DAL 0.8914
802 AA 0.8913
803 TMG 0.8913
804 6CS 0.8913
805 TOF 0.8913
806 Z82 0.8913
807 3HG 0.8911
808 7W4 0.8911
809 5MK 0.8910
810 1SQ 0.8910
811 1NP 0.8910
812 6MW 0.8909
813 FCR 0.8909
814 SX1 0.8909
815 FP1 0.8909
816 9PL 0.8908
817 5IQ 0.8908
818 OAA 0.8908
819 6PC 0.8907
820 Q71 0.8906
821 K5W 0.8904
822 7N0 0.8903
823 9TZ 0.8903
824 4FF 0.8903
825 ENO 0.8903
826 QWW 0.8902
827 EVF 0.8901
828 N0Z 0.8901
829 SQ7 0.8900
830 174 0.8899
831 2QC 0.8899
832 NAG 0.8898
833 COI 0.8897
834 PSE 0.8897
835 ROI 0.8897
836 JYB 0.8897
837 FQI 0.8896
838 BAM 0.8896
839 UFO 0.8895
840 XLS 0.8894
841 G12 0.8894
842 AC0 0.8893
843 Q6T 0.8893
844 LMR 0.8893
845 LFC 0.8892
846 BPN 0.8892
847 QX2 0.8891
848 XXG 0.8890
849 3IT 0.8890
850 6R8 0.8889
851 ALA ALA 0.8888
852 6OT 0.8887
853 RA7 0.8885
854 1QP 0.8884
855 FOT 0.8884
856 UNC 0.8883
857 14J 0.8883
858 42A 0.8882
859 REL 0.8882
860 APS 0.8882
861 MIL 0.8881
862 N5J 0.8880
863 9RH 0.8879
864 3YP 0.8879
865 BQ5 0.8879
866 DRL 0.8878
867 27B 0.8878
868 9KH 0.8878
869 DZA 0.8877
870 DYA 0.8877
871 SD4 0.8876
872 JXW 0.8876
873 14W 0.8875
874 2FT 0.8875
875 E4P 0.8874
876 G3P 0.8874
877 XRG 0.8873
878 3R6 0.8872
879 4YS 0.8872
880 3J8 0.8871
881 DEE 0.8871
882 3PG 0.8871
883 2BX 0.8871
884 V1T 0.8870
885 PMF 0.8870
886 O72 0.8870
887 EMZ 0.8868
888 XXP 0.8867
889 HHR 0.8866
890 UN1 0.8866
891 MEQ 0.8864
892 YIE 0.8864
893 NOJ 0.8862
894 1GP 0.8862
895 N91 0.8862
896 7QS 0.8862
897 K7M 0.8861
898 JXZ 0.8859
899 HSX 0.8859
900 RSO 0.8858
901 2D2 0.8857
902 CIY 0.8857
903 49O 0.8857
904 F69 0.8856
905 505 0.8855
906 TSS 0.8855
907 ASP 0.8855
908 JZA 0.8854
909 AEG 0.8854
910 I6G 0.8854
911 SJ5 0.8854
912 DPT 0.8853
913 8IG 0.8853
914 0OC 0.8853
915 GXY 0.8853
916 ES1 0.8850
917 3VX 0.8849
918 JCZ 0.8848
919 DIU 0.8846
920 NVU 0.8845
921 W29 0.8845
922 NTN 0.8844
923 6M4 0.8844
924 4XH 0.8844
925 DBX 0.8843
926 261 0.8843
927 TSU 0.8843
928 PJL 0.8842
929 FBS 0.8842
930 5Q0 0.8841
931 IJZ 0.8841
932 7NI 0.8840
933 AMS 0.8840
934 FCD 0.8839
935 FQX 0.8838
936 NPY 0.8837
937 SKF 0.8837
938 JPZ 0.8836
939 W81 0.8835
940 4XR 0.8835
941 8S0 0.8834
942 4A5 0.8833
943 JTH 0.8833
944 SAN 0.8832
945 TH7 0.8831
946 DDU 0.8831
947 MAH 0.8831
948 CLZ 0.8831
949 GCU 0.8831
950 7MX 0.8831
951 YH7 0.8831
952 C2U 0.8829
953 NBZ 0.8829
954 3CR 0.8827
955 HH8 0.8827
956 AAS 0.8827
957 GUN 0.8826
958 QUZ 0.8825
959 SSB 0.8824
960 CKA 0.8824
961 SEP 0.8824
962 SNO 0.8823
963 HQ9 0.8822
964 3VW 0.8822
965 YCP 0.8821
966 KBB 0.8820
967 ZBT 0.8820
968 N9J 0.8817
969 9KT 0.8817
970 68A 0.8817
971 KF5 0.8816
972 MWP 0.8815
973 1Z8 0.8815
974 THA 0.8814
975 XFE 0.8813
976 RNO 0.8812
977 SYR 0.8812
978 CSN 0.8812
979 HQY 0.8811
980 DHQ 0.8811
981 H33 0.8810
982 BNS 0.8810
983 PGH 0.8810
984 AEF 0.8810
985 3VQ 0.8809
986 ASO 0.8808
987 LI6 0.8806
988 IQ5 0.8806
989 PZA 0.8805
990 4BF 0.8804
991 R8V 0.8803
992 MZM 0.8803
993 DAH 0.8802
994 G3F 0.8801
995 42C 0.8800
996 GAL 0.8799
997 ATX 0.8799
998 LZM 0.8798
999 FZM 0.8797
1000 YRL 0.8797
1001 VGL 0.8796
1002 3Y7 0.8795
1003 TTY 0.8794
1004 G3H 0.8793
1005 HLD 0.8792
1006 FA3 0.8792
1007 WVV 0.8791
1008 IF7 0.8788
1009 E3X 0.8788
1010 DE3 0.8788
1011 QSC 0.8787
1012 JXN 0.8787
1013 2PG 0.8786
1014 YOF 0.8786
1015 OOG 0.8786
1016 SME 0.8786
1017 4HP 0.8786
1018 2LP 0.8785
1019 QPR 0.8784
1020 TCR 0.8784
1021 SS1 0.8783
1022 GOE 0.8782
1023 67N 0.8782
1024 9BF 0.8782
1025 AUV 0.8782
1026 2CZ 0.8782
1027 FBF 0.8781
1028 ORN 0.8781
1029 7B3 0.8780
1030 0GZ 0.8778
1031 STT 0.8777
1032 M4S 0.8776
1033 BRH 0.8775
1034 3MG 0.8775
1035 BY5 0.8775
1036 DHM 0.8774
1037 DXP 0.8773
1038 WUB 0.8773
1039 TXW 0.8773
1040 PPT 0.8773
1041 PRF 0.8773
1042 B5D 0.8772
1043 K32 0.8772
1044 C0H 0.8772
1045 LTL 0.8771
1046 EVA 0.8771
1047 DX3 0.8770
1048 7B4 0.8770
1049 DQA 0.8770
1050 SAL 0.8768
1051 9MG 0.8768
1052 EYK 0.8768
1053 OTD 0.8767
1054 8WZ 0.8767
1055 P84 0.8766
1056 FBJ 0.8766
1057 GCB 0.8765
1058 CTS 0.8763
1059 0RW 0.8763
1060 MMS 0.8760
1061 CIT 0.8759
1062 TU0 0.8758
1063 S0E 0.8758
1064 4JC 0.8758
1065 8GL 0.8757
1066 KW8 0.8757
1067 4J8 0.8755
1068 13P 0.8755
1069 XRS 0.8755
1070 535 0.8754
1071 DGJ 0.8754
1072 PBN 0.8754
1073 BE2 0.8754
1074 39U 0.8753
1075 BZQ 0.8752
1076 M1A 0.8751
1077 1DV 0.8750
1078 D07 0.8750
1079 GNL 0.8748
1080 LAO 0.8748
1081 JKE 0.8748
1082 F1X 0.8747
1083 HJ8 0.8746
1084 PEP 0.8744
1085 GBN 0.8743
1086 ITE 0.8742
1087 FER 0.8742
1088 N8Z 0.8742
1089 KMY 0.8742
1090 IYR 0.8741
1091 AZM 0.8741
1092 54X 0.8740
1093 F05 0.8740
1094 HJP 0.8739
1095 E0O 0.8739
1096 ICT 0.8739
1097 TRP 0.8739
1098 5E5 0.8738
1099 OKM 0.8738
1100 MAQ 0.8738
1101 P9E 0.8738
1102 SXS 0.8737
1103 28A 0.8736
1104 GHM 0.8735
1105 QMS 0.8734
1106 XI7 0.8734
1107 2B4 0.8734
1108 JU2 0.8733
1109 R9G 0.8733
1110 PXL 0.8732
1111 WOE 0.8730
1112 AMR 0.8730
1113 XAN 0.8729
1114 K48 0.8729
1115 32X 0.8729
1116 DNA 0.8728
1117 S7S 0.8727
1118 FLC 0.8727
1119 49P 0.8727
1120 PMB 0.8727
1121 GCS 0.8727
1122 QIV 0.8726
1123 R8S 0.8725
1124 H5B 0.8722
1125 1DW 0.8720
1126 9DG 0.8720
1127 SG2 0.8720
1128 791 0.8720
1129 OQC 0.8718
1130 HRM 0.8717
1131 FUM 0.8717
1132 549 0.8716
1133 AHR 0.8716
1134 80G 0.8716
1135 Y3L 0.8715
1136 2JK 0.8714
1137 3U4 0.8714
1138 TZL 0.8713
1139 0FR 0.8713
1140 MMJ 0.8712
1141 P81 0.8710
1142 2EC 0.8710
1143 I4B 0.8710
1144 6BL 0.8709
1145 LYS 0.8709
1146 JAH 0.8708
1147 BVA 0.8708
1148 FB2 0.8707
1149 NLE 0.8707
1150 S7J 0.8706
1151 K44 0.8706
1152 KYN 0.8705
1153 G1P 0.8704
1154 OA1 0.8704
1155 HHS 0.8702
1156 OCZ 0.8701
1157 NIR 0.8701
1158 B1J 0.8700
1159 IQQ 0.8700
1160 TB8 0.8699
1161 FDB 0.8699
1162 H70 0.8698
1163 3MF 0.8697
1164 X8D 0.8695
1165 3AE 0.8695
1166 6AP 0.8695
1167 HJ7 0.8691
1168 A09 0.8691
1169 2JM 0.8691
1170 AZA 0.8690
1171 57O 0.8689
1172 SVN 0.8688
1173 AZG 0.8687
1174 Q4G 0.8687
1175 2GQ 0.8686
1176 SIN 0.8685
1177 NLQ 0.8684
1178 TR4 0.8683
1179 NID 0.8682
1180 R8Y 0.8681
1181 RVE 0.8681
1182 6SD 0.8680
1183 K22 0.8678
1184 M5N 0.8678
1185 GP9 0.8675
1186 VK3 0.8674
1187 3SL 0.8673
1188 NQ 0.8673
1189 MS0 0.8672
1190 TIY 0.8671
1191 MQB 0.8670
1192 9LI 0.8670
1193 B60 0.8670
1194 IPB 0.8670
1195 4SV 0.8670
1196 1ZC 0.8669
1197 6GU 0.8669
1198 OHP 0.8668
1199 7ZE 0.8667
1200 1XM 0.8664
1201 KDF 0.8664
1202 FYU 0.8663
1203 9SE 0.8662
1204 RXA 0.8662
1205 BOA 0.8661
1206 A2F 0.8661
1207 TLA 0.8661
1208 FWD 0.8661
1209 KWB 0.8660
1210 ADZ 0.8660
1211 CTV 0.8659
1212 LR5 0.8658
1213 4HB 0.8657
1214 S2T 0.8657
1215 6L6 0.8656
1216 ES6 0.8655
1217 RP3 0.8654
1218 FLV 0.8654
1219 226 0.8654
1220 OA3 0.8654
1221 NCD 0.8653
1222 4KL 0.8652
1223 GZ3 0.8652
1224 2FG 0.8652
1225 TIA 0.8650
1226 9EW 0.8650
1227 SOE 0.8650
1228 5WY 0.8649
1229 CWD 0.8649
1230 INE 0.8648
1231 B57 0.8647
1232 2K8 0.8645
1233 2ZQ 0.8644
1234 1SA 0.8643
1235 NPA 0.8643
1236 A1Y 0.8642
1237 VBC 0.8641
1238 CFF 0.8641
1239 M6W 0.8640
1240 XRX 0.8637
1241 Q06 0.8636
1242 IGA 0.8636
1243 AG2 0.8634
1244 5RP 0.8632
1245 2H5 0.8632
1246 495 0.8632
1247 JTA 0.8630
1248 TEP 0.8630
1249 DTR 0.8629
1250 UAN 0.8627
1251 K3Y 0.8627
1252 NLA 0.8626
1253 B2J 0.8622
1254 DX4 0.8622
1255 AVJ 0.8621
1256 XQG 0.8619
1257 7WV 0.8617
1258 MT0 0.8616
1259 AIN 0.8616
1260 CCU 0.8616
1261 BCK 0.8615
1262 JMG 0.8613
1263 SWX 0.8612
1264 149 0.8612
1265 BCP 0.8610
1266 HMH 0.8610
1267 HKD 0.8607
1268 NBG 0.8606
1269 8XQ 0.8605
1270 AAN 0.8605
1271 LEU 0.8600
1272 5GV 0.8599
1273 II4 0.8598
1274 61O 0.8598
1275 EUE 0.8596
1276 AH9 0.8593
1277 PHH 0.8593
1278 0K7 0.8592
1279 0CU 0.8590
1280 8K2 0.8590
1281 FBV 0.8590
1282 5OO 0.8590
1283 TLM 0.8590
1284 2GD 0.8587
1285 DCZ 0.8585
1286 0VT 0.8584
1287 TJM 0.8584
1288 CNI 0.8583
1289 JBE 0.8581
1290 WOT 0.8580
1291 M1E 0.8579
1292 HBA 0.8578
1293 GAF 0.8574
1294 NM2 0.8572
1295 M78 0.8571
1296 AN0 0.8569
1297 HX2 0.8569
1298 2FX 0.8567
1299 3XX 0.8564
1300 Z70 0.8563
1301 GDL 0.8561
1302 RHU 0.8560
1303 X09 0.8560
1304 XM5 0.8559
1305 HNQ 0.8559
1306 8G6 0.8556
1307 CCD 0.8555
1308 A5P 0.8555
1309 K25 0.8554
1310 K17 0.8552
1311 3VS 0.8550
1312 I2E 0.8549
1313 4ZC 0.8545
1314 8GK 0.8543
1315 1X8 0.8539
1316 DUR 0.8539
1317 FRU 0.8539
1318 0SY 0.8538
1319 FB1 0.8537
1320 BTM 0.8537
1321 1X7 0.8534
1322 HNE 0.8532
1323 28B 0.8509
1324 TQU 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6WJY; Ligand: U41; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 6wjy.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA 3.2967
2 1NU4 MLA 3.2967
3 1NU4 MLA 3.2967
Pocket No.: 2; Query (leader) PDB : 6WJY; Ligand: U41; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 6wjy.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA 3.2967
2 1NU4 MLA 3.2967
3 1NU4 MLA 3.2967
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