Receptor
PDB id Resolution Class Description Source Keywords
2D0T 2.3 Å EC: 1.13.11.52 CRYSTAL STRUCTURE OF 4-PHENYLIMIDAZOLE BOUND FORM OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE HOMO SAPIENS HELIX BUNDLE RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE: CATALYTIC MECHANISM OF O2 INCORPORATION BY A HEME-CONTAINING DIOXYGENASE. PROC.NATL.ACAD.SCI.USA V. 103 2611 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:404;
B:404;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
NHE A:502;
A:503;
B:1502;
B:1503;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
207.29 C8 H17 N O3 S C1CCC...
PIM A:501;
B:1501;
Valid;
Valid;
none;
none;
submit data
144.173 C9 H8 N2 c1ccc...
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: PIM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PIM 1 1
2 CPZ 0.526316 0.826087
Similar Ligands (3D)
Ligand no: 1; Ligand: PIM; Similar ligands found: 983
No: Ligand Similarity coefficient
1 PIY 1.0000
2 K34 0.9900
3 0BP 0.9879
4 TZF 0.9846
5 M3H 0.9843
6 MSR 0.9833
7 SNU 0.9819
8 BNL 0.9812
9 HQJ 0.9801
10 6TZ 0.9770
11 HX4 0.9761
12 C1M 0.9756
13 CFI 0.9753
14 L5V 0.9749
15 36Y 0.9746
16 97T 0.9744
17 52C 0.9738
18 7VP 0.9737
19 J9Q 0.9723
20 GVG 0.9722
21 PHU 0.9718
22 J9N 0.9718
23 R20 0.9708
24 IWT 0.9699
25 M4T 0.9698
26 4WL 0.9689
27 ISZ 0.9687
28 HIS 0.9683
29 AOT 0.9678
30 RUY 0.9668
31 4ZA 0.9657
32 ESP 0.9654
33 4PN 0.9651
34 A5E 0.9647
35 BZ2 0.9645
36 PAC 0.9637
37 N2Z 0.9637
38 M45 0.9632
39 DE5 0.9628
40 4P5 0.9627
41 ICB 0.9623
42 173 0.9609
43 BHO 0.9607
44 KTJ 0.9606
45 JF6 0.9606
46 MPV 0.9597
47 NCT 0.9593
48 4LW 0.9579
49 XDK 0.9578
50 CH9 0.9572
51 ESX 0.9570
52 PPY 0.9570
53 PO6 0.9569
54 XIZ 0.9565
55 HDH 0.9559
56 F4E 0.9555
57 M6H 0.9524
58 HHI 0.9522
59 1Z6 0.9521
60 TYL 0.9521
61 NIZ 0.9519
62 2HC 0.9517
63 DYT 0.9508
64 36E 0.9506
65 URO 0.9503
66 OK7 0.9502
67 HCI 0.9499
68 PJW 0.9497
69 A29 0.9492
70 2HU 0.9492
71 N3W 0.9490
72 MUC 0.9490
73 3A9 0.9482
74 1IT 0.9480
75 FBM 0.9476
76 5NI 0.9474
77 4V2 0.9473
78 PHB 0.9471
79 AKG 0.9471
80 OGA 0.9468
81 9CA 0.9463
82 2ZM 0.9462
83 0HO 0.9459
84 R2P 0.9457
85 0HN 0.9457
86 6RQ 0.9456
87 I1E 0.9455
88 6NI 0.9454
89 6NT 0.9451
90 1XA 0.9449
91 1F1 0.9446
92 F9P 0.9446
93 PAB 0.9442
94 FK8 0.9441
95 9FL 0.9436
96 8OZ 0.9435
97 JRB 0.9434
98 L22 0.9433
99 1M2 0.9433
100 TCA 0.9422
101 HNL 0.9420
102 2BG 0.9420
103 1WC 0.9419
104 JAW 0.9416
105 NPO 0.9415
106 6FZ 0.9412
107 D48 0.9411
108 TIU 0.9408
109 G3E 0.9408
110 ABI 0.9405
111 3PF 0.9402
112 SE2 0.9400
113 J5I 0.9399
114 TT4 0.9398
115 XIY 0.9396
116 4LV 0.9396
117 HNH 0.9394
118 2HO 0.9394
119 1A7 0.9393
120 A9P 0.9389
121 DHI 0.9387
122 PBZ 0.9387
123 HPS 0.9383
124 INO 0.9381
125 FBB 0.9380
126 GJZ 0.9380
127 TPA 0.9380
128 1Y6 0.9378
129 PHE 0.9375
130 AX7 0.9374
131 3QM 0.9370
132 P72 0.9357
133 BPY 0.9357
134 3NY 0.9355
135 BZ3 0.9354
136 BEA 0.9353
137 ONR 0.9348
138 AN3 0.9345
139 4MA 0.9345
140 HBD 0.9344
141 92G 0.9344
142 3ID 0.9341
143 ET2 0.9341
144 0F9 0.9340
145 DHB 0.9340
146 K2T 0.9339
147 FHB 0.9338
148 ESI 0.9337
149 JDN 0.9333
150 MYJ 0.9331
151 4A3 0.9331
152 03V 0.9331
153 2F6 0.9330
154 069 0.9329
155 XX2 0.9329
156 4NC 0.9329
157 268 0.9328
158 HIC 0.9327
159 NNO 0.9324
160 COU 0.9323
161 OTR 0.9322
162 PZI 0.9321
163 93K 0.9321
164 4JQ 0.9320
165 BEZ 0.9320
166 826 0.9316
167 JB5 0.9316
168 ABV 0.9316
169 2HG 0.9313
170 E1T 0.9308
171 CLW 0.9305
172 NYL 0.9304
173 DMD 0.9303
174 5OB 0.9303
175 PH3 0.9303
176 OCH 0.9302
177 X0V 0.9301
178 K7M 0.9299
179 BNF 0.9298
180 S8V 0.9298
181 DGL 0.9297
182 2IT 0.9297
183 HF2 0.9297
184 GLN 0.9296
185 CXF 0.9295
186 DGN 0.9295
187 FEH 0.9293
188 KTA 0.9293
189 RMN 0.9293
190 P9P 0.9293
191 1L5 0.9293
192 DPN 0.9289
193 S2G 0.9288
194 GOJ 0.9287
195 3HM 0.9287
196 ES5 0.9287
197 MQN 0.9287
198 CHB 0.9286
199 SW7 0.9279
200 2AQ 0.9278
201 GUA 0.9276
202 AC6 0.9274
203 GVY 0.9273
204 4FS 0.9270
205 JLZ 0.9268
206 S2P 0.9267
207 HSO 0.9266
208 258 0.9265
209 GRO 0.9263
210 CXP 0.9262
211 HFA 0.9259
212 9ON 0.9258
213 FCR 0.9257
214 7MU 0.9256
215 QMP 0.9256
216 SMN 0.9256
217 URS 0.9254
218 46P 0.9253
219 9TW 0.9253
220 PRA 0.9252
221 IHB 0.9251
222 5XC 0.9250
223 0JD 0.9245
224 NFA 0.9243
225 5LA 0.9242
226 Z82 0.9242
227 HHH 0.9241
228 EXD 0.9240
229 JG8 0.9240
230 BZE 0.9238
231 2MI 0.9236
232 D3G 0.9236
233 IFP 0.9236
234 92K 0.9235
235 264 0.9234
236 YZM 0.9233
237 5QY 0.9233
238 SLS 0.9233
239 F4K 0.9232
240 PNZ 0.9232
241 4NB 0.9232
242 AMS 0.9232
243 ES2 0.9232
244 GZ2 0.9232
245 GWM 0.9231
246 HNK 0.9229
247 15N 0.9228
248 ANN 0.9227
249 36R 0.9227
250 SHI 0.9224
251 L99 0.9221
252 4JT 0.9220
253 45L 0.9219
254 SQ4 0.9219
255 VGD 0.9219
256 270 0.9218
257 4BL 0.9217
258 174 0.9216
259 QY9 0.9216
260 717 0.9216
261 SYC 0.9213
262 HC4 0.9213
263 94W 0.9212
264 QSB 0.9208
265 CWJ 0.9207
266 3OC 0.9207
267 OKG 0.9205
268 TSU 0.9204
269 MPK 0.9204
270 4BY 0.9204
271 RSO 0.9203
272 BEN 0.9203
273 4FH 0.9203
274 B85 0.9201
275 OEG 0.9199
276 TIH 0.9198
277 0TU 0.9198
278 PEA 0.9194
279 LNR 0.9193
280 FBS 0.9193
281 NCA 0.9188
282 GLU 0.9188
283 P7Y 0.9185
284 5WZ 0.9184
285 BCU 0.9181
286 HL4 0.9180
287 JB8 0.9178
288 H42 0.9176
289 EVF 0.9176
290 LQ2 0.9176
291 4YO 0.9175
292 8ZE 0.9174
293 3ZB 0.9174
294 X0U 0.9173
295 0NX 0.9173
296 BP7 0.9171
297 B40 0.9171
298 UNJ 0.9170
299 49F 0.9169
300 3C4 0.9169
301 TGX 0.9167
302 N2I 0.9167
303 6PC 0.9164
304 OAA 0.9163
305 BAM 0.9162
306 SHA 0.9161
307 AL0 0.9160
308 J6W 0.9160
309 PBA 0.9158
310 K97 0.9158
311 1P8 0.9158
312 Z5P 0.9158
313 KTW 0.9157
314 RAT 0.9155
315 X48 0.9152
316 EKZ 0.9149
317 9RW 0.9146
318 8WO 0.9146
319 P80 0.9142
320 GGL 0.9141
321 15E 0.9141
322 DYA 0.9138
323 5VL 0.9138
324 4XF 0.9133
325 NTN 0.9133
326 GDE 0.9128
327 SD4 0.9128
328 795 0.9127
329 KJU 0.9127
330 FAN 0.9126
331 PBC 0.9126
332 M5E 0.9124
333 GAB 0.9124
334 56D 0.9124
335 GO2 0.9123
336 SQ7 0.9121
337 NDH 0.9121
338 3HB 0.9121
339 FUM 0.9120
340 12T 0.9118
341 152 0.9118
342 UNU 0.9116
343 2QC 0.9113
344 ALE 0.9113
345 QWN 0.9113
346 4SX 0.9112
347 CK2 0.9112
348 61M 0.9111
349 7N0 0.9110
350 E5X 0.9107
351 EA1 0.9106
352 AX3 0.9105
353 OVV 0.9104
354 SAN 0.9102
355 5VM 0.9101
356 3YP 0.9101
357 HA5 0.9099
358 XRG 0.9098
359 4FA 0.9098
360 ONL 0.9096
361 DZA 0.9096
362 DHK 0.9095
363 NIO 0.9095
364 0W1 0.9091
365 SKM 0.9091
366 9ZE 0.9090
367 HL5 0.9089
368 3AB 0.9088
369 50C 0.9087
370 CCU 0.9086
371 FHC 0.9085
372 PKU 0.9085
373 L13 0.9085
374 RJY 0.9084
375 DHY 0.9084
376 C82 0.9083
377 KDV 0.9081
378 MAH 0.9081
379 EYV 0.9081
380 L14 0.9079
381 SYV 0.9079
382 P92 0.9078
383 XM0 0.9078
384 EN1 0.9077
385 J9T 0.9075
386 TZM 0.9075
387 APG 0.9075
388 4J8 0.9072
389 AAS 0.9068
390 92P 0.9067
391 XCG 0.9065
392 EOU 0.9063
393 I4B 0.9063
394 7OD 0.9062
395 DIN 0.9061
396 YRL 0.9060
397 MLT 0.9059
398 ZYR 0.9059
399 ALA ALA 0.9057
400 JAE 0.9055
401 2O6 0.9055
402 GF4 0.9055
403 JA8 0.9054
404 VGL 0.9054
405 R9S 0.9052
406 ASP 0.9052
407 QXW 0.9052
408 4NM 0.9052
409 ASC 0.9052
410 9FE 0.9049
411 1HN 0.9049
412 AEG 0.9048
413 ENO 0.9048
414 4RU 0.9044
415 F9Y 0.9044
416 FBF 0.9044
417 6KT 0.9043
418 HJH 0.9042
419 363 0.9042
420 VNL 0.9042
421 N8Y 0.9041
422 GJP 0.9040
423 SAF 0.9034
424 2AL 0.9034
425 2FY 0.9033
426 AY4 0.9031
427 TYR 0.9031
428 NBZ 0.9030
429 MAJ 0.9029
430 P81 0.9029
431 2HQ 0.9028
432 2FT 0.9027
433 4BZ 0.9025
434 428 0.9025
435 6QF 0.9024
436 AMH 0.9024
437 AC0 0.9022
438 5WV 0.9021
439 FBJ 0.9020
440 3NT 0.9019
441 2K4 0.9019
442 FZM 0.9019
443 2LY 0.9018
444 LMR 0.9017
445 2BX 0.9016
446 51R 0.9016
447 DIR 0.9016
448 UN1 0.9016
449 PMF 0.9016
450 TYE 0.9016
451 GCO 0.9015
452 Q02 0.9015
453 B2Y 0.9014
454 A7W 0.9013
455 PZA 0.9012
456 3HG 0.9011
457 5QX 0.9010
458 86J 0.9009
459 DAL DAL 0.9007
460 DHR 0.9006
461 C2Y 0.9006
462 4HP 0.9006
463 12Q 0.9005
464 PMB 0.9003
465 BNS 0.9002
466 QSH 0.9002
467 0FK 0.9001
468 8HC 0.9001
469 GLY GLY 0.8996
470 5GU 0.8996
471 KOJ 0.8995
472 F60 0.8995
473 LT2 0.8995
474 ZBT 0.8993
475 TZL 0.8993
476 KJH 0.8992
477 SPA 0.8991
478 L03 0.8991
479 N9J 0.8990
480 IV2 0.8990
481 OOG 0.8989
482 KKN 0.8989
483 FA0 0.8989
484 14O 0.8988
485 SNO 0.8986
486 4HB 0.8986
487 MS9 0.8985
488 BZJ 0.8984
489 5H1 0.8983
490 3PG 0.8983
491 RNO 0.8982
492 SIN 0.8978
493 IAC 0.8978
494 HG3 0.8976
495 SRT 0.8976
496 VXX 0.8976
497 ODO 0.8976
498 TMG 0.8976
499 ICO 0.8975
500 7BC 0.8975
501 XYL 0.8972
502 RB5 0.8972
503 RA7 0.8972
504 CXH 0.8972
505 E7S 0.8971
506 DC5 0.8970
507 5MI 0.8969
508 HGA 0.8966
509 PEY 0.8965
510 T2D 0.8964
511 GZL 0.8964
512 XQ0 0.8963
513 FQI 0.8963
514 9RH 0.8962
515 DOB 0.8960
516 3HP 0.8959
517 ANC 0.8959
518 ES7 0.8959
519 F69 0.8959
520 SEP 0.8959
521 AHN 0.8959
522 FA1 0.8958
523 CK1 0.8958
524 A3M 0.8957
525 492 0.8956
526 M1Z 0.8956
527 AEF 0.8955
528 I3A 0.8954
529 7O4 0.8954
530 S0E 0.8954
531 ISN 0.8954
532 ZGL 0.8953
533 SN4 0.8953
534 AZ9 0.8953
535 5RN 0.8953
536 MZT 0.8951
537 1BN 0.8950
538 H4E 0.8950
539 XDE 0.8949
540 YPN 0.8949
541 CTL 0.8949
542 FP1 0.8949
543 AMQ 0.8949
544 23J 0.8948
545 PEP 0.8948
546 MXN 0.8947
547 F31 0.8947
548 LDP 0.8946
549 SWX 0.8945
550 LFC 0.8944
551 BHA 0.8944
552 0P6 0.8944
553 BPN 0.8943
554 NMJ 0.8943
555 COI 0.8943
556 ZXD 0.8942
557 BE7 0.8942
558 8GC 0.8941
559 4AA 0.8941
560 0VT 0.8940
561 KUF 0.8940
562 80G 0.8940
563 M3E 0.8940
564 DNF 0.8940
565 HQT 0.8940
566 MNN 0.8940
567 5XB 0.8940
568 OMD 0.8939
569 TH7 0.8938
570 5MB 0.8938
571 E3X 0.8938
572 TYC 0.8938
573 8NX 0.8937
574 344 0.8937
575 FDR 0.8936
576 URC 0.8936
577 OVM 0.8935
578 NPY 0.8935
579 LSQ 0.8935
580 DS0 0.8932
581 DTY 0.8931
582 M6W 0.8929
583 5CU 0.8929
584 5HN 0.8929
585 QUS 0.8929
586 PFF 0.8928
587 C53 0.8928
588 B1J 0.8928
589 7W1 0.8927
590 KMH 0.8927
591 MEQ 0.8926
592 2CK 0.8926
593 SV4 0.8925
594 4M0 0.8925
595 2FQ 0.8924
596 8GL 0.8921
597 FB2 0.8921
598 1DJ 0.8919
599 I3E 0.8919
600 FBW 0.8917
601 5NU 0.8915
602 53C 0.8915
603 LYS 0.8915
604 UFV 0.8914
605 XBT 0.8913
606 DHS 0.8912
607 6AI 0.8909
608 HY1 0.8909
609 3AL 0.8909
610 RNT 0.8908
611 JFJ 0.8907
612 X11 0.8907
613 8CM 0.8906
614 4CS 0.8906
615 M4S 0.8905
616 7WG 0.8905
617 FUD 0.8904
618 3BZ 0.8904
619 39O 0.8903
620 9R5 0.8902
621 6FB 0.8902
622 HSM 0.8899
623 SDD 0.8899
624 0OC 0.8897
625 SSB 0.8895
626 1VK 0.8894
627 AVI 0.8893
628 5RO 0.8893
629 S7J 0.8892
630 BRH 0.8892
631 LVD 0.8891
632 49O 0.8890
633 FGZ 0.8890
634 11S 0.8889
635 QUZ 0.8887
636 3R4 0.8887
637 TTL 0.8887
638 HBA 0.8886
639 1X4 0.8886
640 LTL 0.8885
641 ASN 0.8884
642 MRW 0.8884
643 SS1 0.8883
644 1SA 0.8881
645 CWS 0.8880
646 13P 0.8879
647 8U3 0.8879
648 8WT 0.8878
649 ORN 0.8877
650 HQD 0.8876
651 SHF 0.8874
652 BDP 0.8873
653 SYM 0.8872
654 3SL 0.8872
655 M2K 0.8871
656 0N7 0.8870
657 JAH 0.8869
658 3MB 0.8869
659 MR1 0.8869
660 DHC 0.8869
661 WCE 0.8868
662 SAL 0.8867
663 4BF 0.8867
664 DBH 0.8866
665 SOR 0.8865
666 HDL 0.8864
667 XLS 0.8864
668 261 0.8864
669 OXC 0.8862
670 BE2 0.8862
671 Q88 0.8862
672 3HA 0.8860
673 NF3 0.8858
674 FF2 0.8856
675 GLO 0.8854
676 LR5 0.8854
677 ORO 0.8853
678 3AE 0.8853
679 OQC 0.8853
680 505 0.8851
681 ES0 0.8851
682 PHI 0.8850
683 M5H 0.8850
684 Q03 0.8849
685 DQY 0.8849
686 LT1 0.8848
687 BZX 0.8845
688 E7Z 0.8844
689 2D0 0.8843
690 7W4 0.8842
691 1DV 0.8841
692 PD2 0.8840
693 BRT 0.8840
694 E35 0.8840
695 ES9 0.8839
696 SME 0.8839
697 PBN 0.8838
698 AJV 0.8838
699 JKE 0.8838
700 A9O 0.8837
701 4Z4 0.8837
702 DDU 0.8836
703 CWM 0.8836
704 CCE 0.8835
705 67N 0.8835
706 14J 0.8834
707 8XL 0.8833
708 OHP 0.8833
709 MTL 0.8832
710 PRZ 0.8831
711 R9Y 0.8831
712 PGH 0.8829
713 2LP 0.8828
714 3QV 0.8827
715 YCP 0.8826
716 LJ3 0.8826
717 QSC 0.8825
718 BVA 0.8824
719 G3P 0.8822
720 463 0.8821
721 259 0.8820
722 A7H 0.8820
723 5TY 0.8820
724 30G 0.8820
725 NLE 0.8820
726 ZME 0.8818
727 TAG 0.8818
728 FK1 0.8816
729 TEO 0.8815
730 GZ3 0.8813
731 IOS 0.8813
732 XXG 0.8813
733 3M0 0.8812
734 A09 0.8810
735 HHA 0.8809
736 GPJ 0.8808
737 SKA 0.8807
738 GPF 0.8805
739 B4O 0.8805
740 4MV 0.8805
741 MXD 0.8804
742 KT7 0.8804
743 AJY 0.8803
744 DAH 0.8799
745 HX2 0.8799
746 8NB 0.8796
747 OW4 0.8796
748 GP9 0.8795
749 4NZ 0.8794
750 PCS 0.8792
751 4XS 0.8792
752 D1X 0.8792
753 MUA 0.8790
754 BQ2 0.8790
755 XAZ 0.8788
756 6SD 0.8788
757 4TU 0.8788
758 CFA 0.8787
759 GT4 0.8786
760 75K 0.8786
761 PEL 0.8785
762 AA 0.8784
763 EGR 0.8783
764 2PG 0.8782
765 4XV 0.8780
766 CEE 0.8780
767 4MU 0.8779
768 G3H 0.8779
769 1AL 0.8779
770 1GP 0.8779
771 E4P 0.8776
772 GBN 0.8773
773 1DW 0.8771
774 3F0 0.8771
775 E0O 0.8771
776 8TX 0.8770
777 Q06 0.8769
778 4VP 0.8769
779 4JC 0.8769
780 7Q1 0.8769
781 LYL 0.8768
782 K80 0.8766
783 CCD 0.8765
784 BCK 0.8764
785 M58 0.8764
786 4ME 0.8761
787 DQU 0.8761
788 ANF 0.8760
789 CN0 0.8758
790 W29 0.8757
791 27B 0.8757
792 3FH 0.8756
793 NM3 0.8756
794 TAR 0.8755
795 NM2 0.8751
796 OTW 0.8751
797 4I8 0.8751
798 SS2 0.8751
799 FTV 0.8750
800 TLA 0.8748
801 8NY 0.8748
802 2A9 0.8748
803 SKF 0.8747
804 LEU 0.8745
805 RKV 0.8743
806 M1A 0.8743
807 4LR 0.8741
808 BTY 0.8741
809 4VY 0.8740
810 TWO 0.8739
811 PDC 0.8739
812 68A 0.8737
813 HMH 0.8736
814 PGA 0.8735
815 FMQ 0.8732
816 41K 0.8730
817 CHH 0.8729
818 7WR 0.8728
819 XCZ 0.8727
820 QIV 0.8727
821 H8N 0.8726
822 EV0 0.8726
823 6ME 0.8721
824 4XR 0.8720
825 N91 0.8719
826 ONH 0.8719
827 QBS 0.8716
828 CLU 0.8715
829 3VX 0.8715
830 1P7 0.8714
831 K5W 0.8714
832 3U4 0.8713
833 M4E 0.8712
834 5OO 0.8712
835 VKC 0.8711
836 6J9 0.8711
837 3VS 0.8711
838 C21 0.8710
839 X1S 0.8710
840 MEV 0.8706
841 6ZX 0.8704
842 4HM 0.8703
843 JYD 0.8702
844 4HC 0.8700
845 9UL 0.8699
846 3Z8 0.8698
847 6XI 0.8698
848 B62 0.8697
849 449 0.8694
850 9SE 0.8692
851 GTQ 0.8692
852 MWP 0.8690
853 J9W 0.8690
854 44W 0.8689
855 F05 0.8687
856 209 0.8685
857 R8V 0.8685
858 PPT 0.8683
859 XHP 0.8680
860 6M9 0.8679
861 GTR 0.8678
862 R67 0.8678
863 HPP 0.8676
864 PRO 0.8676
865 2AK 0.8676
866 2FX 0.8675
867 DEE 0.8674
868 BGC 0.8674
869 QX4 0.8673
870 RHU 0.8672
871 XRS 0.8669
872 5IQ 0.8668
873 KBZ 0.8668
874 3SK 0.8668
875 5JQ 0.8667
876 791 0.8666
877 V1T 0.8666
878 GYE 0.8665
879 HX3 0.8662
880 650 0.8662
881 WOT 0.8660
882 24W 0.8660
883 1LQ 0.8660
884 KMY 0.8659
885 KYA 0.8659
886 AJ2 0.8658
887 APZ 0.8658
888 P9E 0.8658
889 1SQ 0.8657
890 6HO 0.8656
891 5RG 0.8655
892 SVD 0.8655
893 8K2 0.8654
894 7WV 0.8654
895 Q24 0.8652
896 BTM 0.8652
897 AW5 0.8651
898 34D 0.8650
899 N5J 0.8649
900 A13 0.8649
901 C0H 0.8648
902 5GT 0.8647
903 G14 0.8646
904 GLC 0.8646
905 5B1 0.8645
906 NAG 0.8643
907 Y3L 0.8643
908 3S5 0.8643
909 7MX 0.8643
910 THA 0.8642
911 MVN 0.8642
912 8W9 0.8642
913 ES6 0.8642
914 PZM 0.8641
915 JND 0.8640
916 OVP 0.8639
917 SRO 0.8638
918 FBU 0.8637
919 7ZL 0.8636
920 FBV 0.8632
921 4YS 0.8629
922 AAN 0.8629
923 QIC 0.8628
924 TB8 0.8627
925 RP3 0.8626
926 RM1 0.8625
927 M5K 0.8622
928 44V 0.8620
929 0FO 0.8620
930 CTS 0.8620
931 FB1 0.8619
932 PEQ 0.8619
933 0V5 0.8619
934 BGU 0.8617
935 A5H 0.8617
936 SWA 0.8615
937 5M0 0.8614
938 LEL 0.8612
939 S0W 0.8611
940 4SV 0.8610
941 M1Q 0.8610
942 PXL 0.8610
943 TP5 0.8608
944 6M4 0.8607
945 977 0.8607
946 EUG 0.8603
947 9TZ 0.8603
948 KMT 0.8602
949 0W8 0.8601
950 AQO 0.8596
951 TOF 0.8593
952 ZZA 0.8592
953 CLZ 0.8591
954 PCA 0.8591
955 PC 0.8591
956 54E 0.8590
957 EQW 0.8587
958 MJ2 0.8587
959 6DP 0.8587
960 YIE 0.8580
961 JP2 0.8576
962 IP8 0.8576
963 MEW 0.8574
964 GGB 0.8574
965 ES1 0.8572
966 2JM 0.8572
967 AZ8 0.8570
968 TSS 0.8568
969 3IT 0.8567
970 F06 0.8565
971 JPZ 0.8564
972 F12 0.8562
973 HHS 0.8562
974 DBX 0.8560
975 FOA 0.8554
976 LO1 0.8550
977 1NP 0.8550
978 HSX 0.8548
979 NVU 0.8546
980 AG2 0.8532
981 FOM 0.8525
982 TTY 0.8525
983 B2T 0.8523
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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