Receptor
PDB id Resolution Class Description Source Keywords
1I80 2 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF M. TUBERCULOSIS PNP IN COMPLEX WITH IMINORIBITOL, 9-DEAZAHYPOXANTHINE AND PHOSPHATE ION MYCOBACTERIUM TUBERCULOSIS TRIMER TRANSITION-STATE COMPLEX TRANSFERASE
Ref.: STRUCTURES OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEXES WITH IMMUCILLIN-H AND ITS PIECES. BIOCHEMISTRY V. 40 8204 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9HX A:301;
B:302;
C:303;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 0.39 uM
135.123 C6 H5 N3 O c1c[n...
IMR A:351;
Valid;
none;
submit data
133.146 C5 H11 N O3 C1[C@...
PO4 A:401;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G2O 1.75 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH A TRANSITION- S TATE INHIBITOR MYCOBACTERIUM TUBERCULOSIS TRIMER TRANSITION-STATE COMPLEX TRANSFERASE
Ref.: STRUCTURES OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEXES WITH IMMUCILLIN-H AND ITS PIECES. BIOCHEMISTRY V. 40 8204 2001
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1I80 Kd = 0.39 uM 9HX C6 H5 N3 O c1c[nH]c2c....
2 3IOM - GNG C10 H13 N5 O4 c1nc2c(n1[....
3 1G2O Ki = 28 pM IMH C11 H14 N4 O4 c1c(c2c([n....
4 1N3I Kd = 1.3 nM DIH C12 H17 N4 O3 c1c(c2c([n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1I80 Kd = 0.39 uM 9HX C6 H5 N3 O c1c[nH]c2c....
2 3IOM - GNG C10 H13 N5 O4 c1nc2c(n1[....
3 1G2O Ki = 28 pM IMH C11 H14 N4 O4 c1c(c2c([n....
4 1N3I Kd = 1.3 nM DIH C12 H17 N4 O3 c1c(c2c([n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1I80 Kd = 0.39 uM 9HX C6 H5 N3 O c1c[nH]c2c....
2 3IOM - GNG C10 H13 N5 O4 c1nc2c(n1[....
3 1G2O Ki = 28 pM IMH C11 H14 N4 O4 c1c(c2c([n....
4 1N3I Kd = 1.3 nM DIH C12 H17 N4 O3 c1c(c2c([n....
5 1C3X - 8IG C5 H4 I N5 O c12c([nH]c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9HX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9HX 1 1
Ligand no: 2; Ligand: IMR; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 EDG 1 1
2 IMR 1 1
3 LDU 1 1
4 1AB 1 1
5 DMJ 0.703704 0.853659
6 DGJ 0.703704 0.853659
7 NOJ 0.703704 0.853659
8 AZF 0.46875 0.744681
9 AGK 0.46875 0.744681
Similar Ligands (3D)
Ligand no: 1; Ligand: 9HX; Similar ligands found: 1052
No: Ligand Similarity coefficient
1 ADE 1.0000
2 7HP 1.0000
3 9DA 1.0000
4 HPA 1.0000
5 BP1 0.9999
6 10L 0.9998
7 6MP 0.9992
8 7WA 0.9988
9 ES4 0.9951
10 PM6 0.9947
11 BTE 0.9937
12 SWD 0.9917
13 SVN 0.9808
14 XYP 0.9805
15 9DG 0.9798
16 5Q0 0.9787
17 N5J 0.9779
18 24W 0.9777
19 5IQ 0.9774
20 O72 0.9770
21 AZA 0.9770
22 XAN 0.9768
23 HQY 0.9766
24 LXC 0.9764
25 SAL 0.9762
26 1NP 0.9759
27 ES1 0.9759
28 4YS 0.9756
29 5SG 0.9756
30 9EW 0.9756
31 1LQ 0.9755
32 1LM 0.9754
33 JBH 0.9752
34 JPZ 0.9752
35 GUN 0.9751
36 IGA 0.9751
37 RSF 0.9749
38 BZF 0.9745
39 BZI 0.9739
40 1SQ 0.9737
41 1XN 0.9737
42 ADK 0.9735
43 GVH 0.9733
44 Q88 0.9730
45 IND 0.9726
46 ADZ 0.9724
47 HLR 0.9723
48 GIO 0.9722
49 25W 0.9722
50 HH8 0.9713
51 JBE 0.9708
52 4JP 0.9703
53 M1A 0.9700
54 ES0 0.9695
55 CFP 0.9694
56 A2F 0.9693
57 0R1 0.9693
58 MPI 0.9692
59 F05 0.9688
60 G6D 0.9686
61 0CT 0.9684
62 6AP 0.9682
63 LZ1 0.9678
64 4XH 0.9675
65 141 0.9673
66 DEN 0.9670
67 AZG 0.9663
68 DX4 0.9662
69 EQT 0.9660
70 290 0.9659
71 7B4 0.9656
72 6GU 0.9653
73 67N 0.9653
74 URF 0.9653
75 MBD 0.9652
76 CWM 0.9641
77 AHR 0.9631
78 GBD 0.9628
79 23A 0.9627
80 BOA 0.9627
81 OXQ 0.9626
82 1XM 0.9620
83 0RW 0.9613
84 MWM 0.9604
85 3MA 0.9600
86 PYG 0.9599
87 MCT 0.9597
88 3MC 0.9591
89 JIF 0.9590
90 4ZE 0.9586
91 3FA 0.9584
92 KYD 0.9583
93 6M4 0.9581
94 XYS 0.9578
95 I3A 0.9576
96 WBU 0.9575
97 3U4 0.9574
98 7HQ 0.9569
99 BCP 0.9567
100 5WX 0.9565
101 HH5 0.9561
102 QUZ 0.9560
103 NPY 0.9559
104 5RG 0.9559
105 3ZQ 0.9559
106 4SV 0.9558
107 BR8 0.9556
108 BE2 0.9555
109 GAG 0.9553
110 YH7 0.9552
111 F5B 0.9551
112 5AN 0.9549
113 G3F 0.9548
114 2CM 0.9547
115 M1E 0.9545
116 XXR 0.9545
117 1PT 0.9544
118 TDR 0.9543
119 FLM 0.9541
120 JZ9 0.9540
121 6M9 0.9537
122 XQG 0.9535
123 JZ3 0.9535
124 ES6 0.9533
125 IDM 0.9531
126 A1U 0.9528
127 GLC 0.9528
128 1WD 0.9525
129 5AC 0.9522
130 5M0 0.9520
131 4HO 0.9519
132 FFP 0.9518
133 1MC 0.9514
134 XBZ 0.9513
135 6UA 0.9512
136 BGC 0.9511
137 0TR 0.9508
138 GMN 0.9500
139 ARB 0.9500
140 YCP 0.9500
141 0CU 0.9499
142 2C9 0.9499
143 DUB 0.9499
144 2MY 0.9497
145 HY3 0.9494
146 ICP 0.9491
147 AX2 0.9489
148 TM7 0.9488
149 PYD 0.9487
150 2AC 0.9486
151 26D 0.9485
152 3AY 0.9484
153 URA 0.9482
154 BEZ 0.9482
155 8GC 0.9482
156 13X 0.9481
157 KKN 0.9480
158 2MP 0.9479
159 2YU 0.9478
160 ISN 0.9476
161 2D0 0.9471
162 6MH 0.9471
163 0MK 0.9471
164 XYD 0.9469
165 34A 0.9468
166 MT0 0.9468
167 R8V 0.9468
168 JKE 0.9466
169 5UC 0.9464
170 7MH 0.9463
171 6CS 0.9463
172 LG3 0.9462
173 RCO 0.9461
174 39A 0.9459
175 4CS 0.9456
176 HLZ 0.9455
177 43M 0.9455
178 WDL 0.9454
179 6PC 0.9454
180 HZQ 0.9453
181 7NI 0.9452
182 270 0.9452
183 495 0.9449
184 9MG 0.9447
185 7WV 0.9443
186 3F0 0.9443
187 GRE 0.9442
188 BEN 0.9442
189 S76 0.9441
190 CYT 0.9440
191 HT4 0.9435
192 3WA 0.9431
193 TH0 0.9428
194 5WV 0.9427
195 BAM 0.9427
196 7W4 0.9426
197 60P 0.9425
198 6AI 0.9424
199 L3Q 0.9423
200 MZG 0.9423
201 UNC 0.9420
202 CRS 0.9419
203 ES7 0.9418
204 6F0 0.9417
205 AZ8 0.9417
206 FUL 0.9417
207 5ZE 0.9416
208 R8A 0.9416
209 2A7 0.9415
210 NBZ 0.9413
211 3M0 0.9412
212 FYU 0.9412
213 LG5 0.9411
214 DBH 0.9408
215 JFD 0.9406
216 HJP 0.9406
217 2DR 0.9406
218 12M 0.9405
219 PE0 0.9404
220 CAQ 0.9403
221 40O 0.9402
222 2CK 0.9401
223 92Z 0.9401
224 NCA 0.9399
225 284 0.9398
226 GAB 0.9397
227 TM4 0.9395
228 NK 0.9394
229 RIP 0.9394
230 3NT 0.9393
231 AX7 0.9393
232 4CL 0.9391
233 BZX 0.9391
234 3CH 0.9390
235 3HA 0.9388
236 3CE 0.9387
237 GTQ 0.9387
238 ISE 0.9386
239 ORO 0.9385
240 GCS 0.9385
241 3Z7 0.9384
242 JBQ 0.9384
243 2ZV 0.9382
244 4JJ 0.9381
245 54G 0.9381
246 FOT 0.9381
247 1WG 0.9379
248 FE DB1 0.9379
249 8LG 0.9378
250 OXE 0.9377
251 OXC 0.9375
252 B55 0.9374
253 ERH 0.9373
254 8S0 0.9373
255 4XR 0.9371
256 T6C 0.9369
257 4JO 0.9366
258 286 0.9366
259 M6N 0.9365
260 7W1 0.9365
261 NIO 0.9365
262 RM1 0.9365
263 M1H 0.9365
264 5MB 0.9362
265 DUC 0.9362
266 YSO 0.9361
267 URC 0.9361
268 8GF 0.9359
269 Q24 0.9359
270 5JC 0.9359
271 LZM 0.9359
272 L89 0.9359
273 JZ2 0.9358
274 KJH 0.9357
275 5MH 0.9357
276 BR9 0.9356
277 27Y 0.9355
278 1P7 0.9355
279 5HN 0.9355
280 7CZ 0.9354
281 3HB 0.9353
282 150 0.9353
283 2K4 0.9352
284 12Q 0.9352
285 JZ0 0.9352
286 RAM 0.9352
287 5H1 0.9349
288 BVF 0.9348
289 42A 0.9348
290 2ZX 0.9347
291 7VS 0.9346
292 BTY 0.9344
293 3ID 0.9343
294 FDB 0.9342
295 F60 0.9342
296 FP2 0.9342
297 76X 0.9342
298 0P6 0.9340
299 GYE 0.9340
300 MEW 0.9339
301 ES9 0.9338
302 64K 0.9338
303 3AB 0.9337
304 1AN 0.9336
305 CWS 0.9335
306 A7W 0.9334
307 ARA 0.9334
308 MWJ 0.9331
309 4ZC 0.9331
310 PZA 0.9328
311 14O 0.9327
312 FUC 0.9327
313 5MI 0.9321
314 3MH 0.9320
315 SWA 0.9320
316 0R0 0.9319
317 J1Z 0.9319
318 5MK 0.9316
319 EXO 0.9316
320 AQO 0.9315
321 OVV 0.9314
322 M0W 0.9314
323 BEW 0.9313
324 P92 0.9312
325 282 0.9312
326 2CQ 0.9311
327 DBJ 0.9310
328 8IG 0.9309
329 M5K 0.9308
330 IJZ 0.9307
331 5QX 0.9307
332 2AF 0.9307
333 75K 0.9305
334 AJ2 0.9305
335 9TZ 0.9304
336 H4N 0.9302
337 VNJ 0.9302
338 HQT 0.9301
339 2MI 0.9300
340 KT7 0.9299
341 35C 0.9299
342 32X 0.9297
343 6M1 0.9297
344 53C 0.9296
345 SX1 0.9294
346 AKH 0.9294
347 VGL 0.9293
348 Q6T 0.9293
349 PXL 0.9293
350 EA1 0.9290
351 MRW 0.9290
352 M0Q 0.9290
353 J9W 0.9285
354 5B1 0.9284
355 IUR 0.9284
356 8TX 0.9284
357 B53 0.9284
358 NTN 0.9283
359 FCB 0.9283
360 TTL 0.9282
361 3RK 0.9282
362 IDH 0.9280
363 CIG 0.9278
364 93Q 0.9278
365 4HC 0.9278
366 LSA 0.9276
367 2CH 0.9276
368 DFB 0.9274
369 RM4 0.9274
370 FK1 0.9273
371 5NU 0.9273
372 8CM 0.9272
373 11S 0.9272
374 HHA 0.9270
375 8NY 0.9269
376 DOR 0.9268
377 F0J 0.9267
378 KUF 0.9267
379 UNU 0.9266
380 42C 0.9265
381 1P3 0.9263
382 5JQ 0.9260
383 FPY 0.9260
384 ABV 0.9259
385 YTB 0.9259
386 WCE 0.9258
387 1DW 0.9258
388 NOJ 0.9257
389 5JL 0.9256
390 3BZ 0.9255
391 BE7 0.9254
392 IFM 0.9254
393 SOE 0.9253
394 NTM 0.9250
395 R8S 0.9249
396 RNS 0.9249
397 QOS 0.9247
398 DMD 0.9240
399 VNL 0.9240
400 MFB 0.9239
401 TLD 0.9237
402 XQ0 0.9237
403 SYN 0.9235
404 HPY 0.9235
405 IPZ 0.9235
406 LGC 0.9234
407 HMH 0.9233
408 DIE 0.9231
409 938 0.9229
410 DIN 0.9229
411 P3K 0.9229
412 INS 0.9229
413 HTS 0.9228
414 HGQ 0.9228
415 Y8I 0.9225
416 C2U 0.9220
417 34D 0.9219
418 HBX 0.9219
419 D1X 0.9219
420 0W8 0.9218
421 275 0.9217
422 4NC 0.9216
423 XAZ 0.9214
424 45C 0.9213
425 47J 0.9213
426 94N 0.9213
427 BHO 0.9213
428 DHQ 0.9211
429 SHG 0.9210
430 FPI 0.9209
431 B3R 0.9208
432 4H2 0.9206
433 3IT 0.9206
434 DHB 0.9206
435 M3T 0.9205
436 SKA 0.9204
437 GAL 0.9204
438 3SK 0.9203
439 ECE 0.9202
440 BRT 0.9201
441 M1Q 0.9201
442 FCA 0.9200
443 AW5 0.9200
444 5RN 0.9200
445 NEQ 0.9199
446 HMU 0.9199
447 JAE 0.9198
448 JUG 0.9198
449 4PW 0.9197
450 XM0 0.9194
451 URQ 0.9194
452 285 0.9193
453 4M4 0.9192
454 9TY 0.9191
455 PHT 0.9190
456 DFU 0.9190
457 5CU 0.9190
458 HFB 0.9185
459 FUF 0.9184
460 3XX 0.9183
461 QBK 0.9183
462 2FG 0.9183
463 V55 0.9181
464 TEP 0.9181
465 HEW 0.9180
466 NMJ 0.9179
467 RIB 0.9178
468 ABN 0.9174
469 QWN 0.9173
470 SS1 0.9172
471 TBP 0.9171
472 F81 0.9169
473 MAK 0.9169
474 24B 0.9168
475 H3M 0.9167
476 KIV 0.9167
477 4XX 0.9165
478 F4Z 0.9164
479 12B 0.9163
480 KLW 0.9162
481 G5V 0.9161
482 JBK 0.9160
483 3OC 0.9160
484 AZF 0.9157
485 FPK 0.9156
486 ZZT 0.9154
487 1XX 0.9154
488 AUD 0.9154
489 ZZ3 0.9153
490 6X8 0.9152
491 280 0.9148
492 FA0 0.9146
493 5OB 0.9146
494 TH7 0.9144
495 AC0 0.9144
496 GLA 0.9144
497 YAN 0.9143
498 2EC 0.9143
499 DHK 0.9143
500 COU 0.9142
501 03V 0.9142
502 8WT 0.9141
503 QSC 0.9140
504 BHA 0.9140
505 3Z8 0.9140
506 DOB 0.9139
507 4M0 0.9136
508 IV2 0.9136
509 PBC 0.9135
510 MLT 0.9134
511 QWW 0.9133
512 AZ9 0.9132
513 OXZ 0.9130
514 PYF 0.9128
515 GOO 0.9128
516 HHQ 0.9124
517 P9P 0.9124
518 149 0.9124
519 OVM 0.9123
520 NQ 0.9120
521 2ZQ 0.9119
522 2AQ 0.9116
523 PY7 0.9116
524 KOJ 0.9115
525 8H8 0.9113
526 ICC 0.9113
527 5WY 0.9113
528 PAF 0.9112
529 TC7 0.9108
530 D07 0.9107
531 4FS 0.9107
532 KBG 0.9106
533 FOA 0.9103
534 ES5 0.9102
535 QX2 0.9102
536 B57 0.9102
537 BDP 0.9102
538 G1O 0.9100
539 7VJ 0.9100
540 AMC 0.9100
541 QXW 0.9096
542 NPO 0.9096
543 PYC 0.9095
544 PRO 0.9095
545 ASO 0.9094
546 JZ1 0.9090
547 CYH 0.9090
548 7ZE 0.9089
549 2H5 0.9087
550 KIB 0.9087
551 H42 0.9087
552 JB5 0.9084
553 RXA 0.9084
554 3MB 0.9084
555 CXL 0.9084
556 LMR 0.9082
557 INE 0.9080
558 SEJ 0.9079
559 DIU 0.9073
560 G4D 0.9071
561 G2F 0.9071
562 XX2 0.9069
563 C2A 0.9069
564 TCZ 0.9068
565 M2H 0.9067
566 OCH 0.9065
567 VK3 0.9065
568 MUA 0.9065
569 KJY 0.9064
570 86J 0.9063
571 VAL 0.9063
572 TMT 0.9058
573 FBV 0.9058
574 4HM 0.9057
575 CTL 0.9057
576 261 0.9056
577 MYJ 0.9052
578 HX3 0.9052
579 WOO 0.9052
580 V1L 0.9052
581 BCF 0.9050
582 B60 0.9050
583 ABE 0.9050
584 ASC 0.9050
585 KPL 0.9049
586 JLZ 0.9049
587 DRL 0.9047
588 TLA 0.9046
589 APZ 0.9044
590 DQN 0.9043
591 2PC 0.9042
592 PYQ 0.9041
593 FLA 0.9038
594 IT2 0.9037
595 GDE 0.9036
596 INO 0.9034
597 PFB 0.9032
598 BMA 0.9031
599 MO8 0.9030
600 MAN 0.9029
601 1MR 0.9028
602 4AA 0.9028
603 3DM 0.9027
604 N7P 0.9027
605 51R 0.9025
606 RHU 0.9024
607 Z82 0.9024
608 3HM 0.9023
609 TMZ 0.9020
610 NOY 0.9020
611 HQD 0.9019
612 NNO 0.9017
613 PLQ 0.9017
614 82I 0.9015
615 329 0.9014
616 23W 0.9014
617 GIV 0.9014
618 2IM 0.9014
619 NDM 0.9013
620 6HQ 0.9013
621 N8P 0.9013
622 BBF 0.9012
623 2HO 0.9011
624 260 0.9010
625 FHB 0.9008
626 2MH 0.9008
627 4A3 0.9007
628 NSP 0.9006
629 IFL 0.9006
630 APY 0.9006
631 PBE 0.9005
632 FBT 0.9005
633 YHO 0.9005
634 EYK 0.9004
635 IPH 0.9004
636 PA1 0.9004
637 93K 0.9003
638 37T 0.9003
639 IP0 0.9002
640 36R 0.9000
641 EUG 0.8997
642 UAN 0.8996
643 RSO 0.8996
644 2HQ 0.8995
645 NTZ 0.8995
646 PZI 0.8994
647 PHB 0.8990
648 HAI 0.8990
649 BZ3 0.8989
650 ICO 0.8988
651 5CL 0.8987
652 HBA 0.8987
653 ET2 0.8986
654 C21 0.8985
655 MWP 0.8985
656 LCN 0.8985
657 CFF 0.8985
658 TZC 0.8984
659 CTS 0.8983
660 1GN 0.8983
661 1P8 0.8982
662 F3B 0.8981
663 E7Z 0.8981
664 CLW 0.8981
665 FP1 0.8981
666 PCR 0.8981
667 DGJ 0.8979
668 4JU 0.8978
669 FPN 0.8977
670 TAR 0.8977
671 3PF 0.8977
672 HIO 0.8975
673 TP5 0.8973
674 5VM 0.8973
675 MAQ 0.8971
676 NID 0.8971
677 IBF 0.8970
678 WOT 0.8970
679 EKZ 0.8970
680 I1N 0.8970
681 OAA 0.8969
682 SJ5 0.8969
683 PCI 0.8968
684 PXM 0.8967
685 HQE 0.8966
686 3MG 0.8966
687 265 0.8963
688 QSB 0.8963
689 UEG 0.8962
690 LG4 0.8961
691 SYV 0.8960
692 VGD 0.8959
693 3DO 0.8959
694 FAN 0.8959
695 QPR 0.8959
696 2AL 0.8958
697 GAF 0.8958
698 CIZ 0.8958
699 JBN 0.8957
700 278 0.8957
701 G3E 0.8955
702 ASP 0.8955
703 RPQ 0.8950
704 6LW 0.8950
705 CHB 0.8949
706 SXS 0.8948
707 XHP 0.8943
708 51F 0.8943
709 X6X 0.8942
710 HNQ 0.8942
711 YIO 0.8942
712 9TW 0.8941
713 DA1 0.8941
714 NDH 0.8940
715 O7U 0.8940
716 2MN 0.8940
717 FB1 0.8938
718 A13 0.8936
719 2AP 0.8936
720 25R 0.8934
721 MBN 0.8933
722 GCU 0.8932
723 PAB 0.8930
724 3AP 0.8929
725 4AP 0.8928
726 9PO 0.8926
727 GIF 0.8926
728 H76 0.8924
729 MBG 0.8924
730 J9T 0.8918
731 RUU 0.8918
732 GOG 0.8917
733 0JD 0.8916
734 HRZ 0.8914
735 3FH 0.8913
736 GTR 0.8913
737 0N7 0.8912
738 ES2 0.8911
739 X09 0.8910
740 680 0.8909
741 LT2 0.8908
742 GXL 0.8908
743 273 0.8908
744 4ME 0.8907
745 92K 0.8904
746 6KX 0.8901
747 JAB 0.8900
748 ALL 0.8899
749 MRZ 0.8899
750 HVK 0.8898
751 PXY 0.8898
752 0FO 0.8897
753 DBX 0.8896
754 CRN 0.8892
755 MSN 0.8892
756 1Y6 0.8892
757 AGK 0.8891
758 B62 0.8890
759 EVA 0.8890
760 HBD 0.8888
761 TFU 0.8888
762 SHA 0.8886
763 SMV 0.8885
764 RP7 0.8884
765 K17 0.8884
766 JXN 0.8883
767 MNM 0.8883
768 FUB 0.8883
769 7EX 0.8883
770 AJV 0.8882
771 2AK 0.8879
772 ENL 0.8878
773 HXX 0.8878
774 XCZ 0.8876
775 XLS 0.8875
776 4Z4 0.8874
777 ZWZ 0.8874
778 M58 0.8873
779 8EZ 0.8872
780 44W 0.8870
781 QAT 0.8869
782 ALO 0.8863
783 2PG 0.8862
784 PYJ 0.8861
785 JND 0.8860
786 OTW 0.8860
787 PCA 0.8860
788 LGA 0.8859
789 CGB 0.8859
790 LKA 0.8859
791 KIA 0.8857
792 MVL 0.8855
793 9CL 0.8854
794 MB3 0.8853
795 2XX 0.8850
796 LRH 0.8850
797 AFR 0.8849
798 FGZ 0.8849
799 SKM 0.8849
800 NIZ 0.8848
801 173 0.8846
802 B24 0.8845
803 ITN 0.8844
804 SF9 0.8843
805 1DQ 0.8843
806 GZ8 0.8842
807 GJS 0.8841
808 TBS 0.8841
809 9KT 0.8839
810 DAB 0.8838
811 FBW 0.8838
812 5QY 0.8838
813 GM7 0.8836
814 174 0.8836
815 URP 0.8836
816 4VP 0.8835
817 IHB 0.8834
818 BEA 0.8833
819 F12 0.8832
820 2LP 0.8832
821 ISZ 0.8832
822 4JT 0.8832
823 0FN 0.8832
824 A2Q 0.8830
825 MFU 0.8830
826 QAS 0.8828
827 IF7 0.8828
828 Z6J 0.8827
829 QSH 0.8825
830 X05 0.8824
831 GXE 0.8822
832 GCB 0.8822
833 DGY 0.8822
834 AIN 0.8821
835 DQU 0.8820
836 SRO 0.8820
837 YQA 0.8820
838 OW4 0.8819
839 TSS 0.8818
840 F31 0.8818
841 SS2 0.8815
842 4CH 0.8815
843 IFP 0.8813
844 ASN 0.8813
845 XIY 0.8813
846 K2T 0.8812
847 2KT 0.8812
848 DMJ 0.8811
849 TOF 0.8811
850 SE2 0.8810
851 SOR 0.8810
852 PDC 0.8809
853 LYL 0.8808
854 2A9 0.8808
855 KSW 0.8808
856 ZVO 0.8807
857 4HS 0.8806
858 44V 0.8806
859 DTI 0.8804
860 6VD 0.8804
861 QX4 0.8803
862 FRU 0.8803
863 MVN 0.8802
864 FBB 0.8800
865 826 0.8799
866 4MU 0.8798
867 BML 0.8797
868 KBB 0.8793
869 4MA 0.8793
870 TTY 0.8793
871 1DU 0.8793
872 1M2 0.8792
873 IPB 0.8790
874 M2K 0.8790
875 R2B 0.8790
876 MMZ 0.8789
877 D48 0.8789
878 14J 0.8788
879 PBZ 0.8787
880 GLF 0.8787
881 P72 0.8786
882 BK9 0.8785
883 HSL 0.8784
884 EV0 0.8780
885 717 0.8780
886 7MU 0.8780
887 FDK 0.8779
888 DMI 0.8771
889 II6 0.8771
890 TFB 0.8771
891 L60 0.8770
892 95Z 0.8767
893 8CL 0.8764
894 CFI 0.8764
895 GLY PRO 0.8763
896 SRT 0.8762
897 GOX 0.8761
898 BSX 0.8760
899 XYL 0.8760
900 XUL 0.8760
901 J5I 0.8759
902 ICF 0.8756
903 THR 0.8755
904 AC6 0.8755
905 4XV 0.8754
906 3R6 0.8754
907 MR1 0.8753
908 PHH 0.8751
909 FB2 0.8751
910 DXX 0.8750
911 PRZ 0.8750
912 TZE 0.8749
913 4JN 0.8748
914 BDF 0.8747
915 VOH 0.8745
916 DEE 0.8744
917 209 0.8743
918 JFJ 0.8742
919 OVP 0.8741
920 24T 0.8741
921 LDP 0.8741
922 XBT 0.8740
923 2TQ 0.8740
924 PRF 0.8739
925 23J 0.8738
926 7B3 0.8735
927 5RO 0.8735
928 7WR 0.8729
929 GV9 0.8729
930 AS3 0.8728
931 DNF 0.8727
932 CEJ 0.8726
933 AMG 0.8724
934 MS9 0.8723
935 BNS 0.8722
936 HYN 0.8720
937 EJZ 0.8716
938 H33 0.8715
939 0LH 0.8715
940 TTO 0.8713
941 KJU 0.8712
942 EDG 0.8711
943 K8X 0.8710
944 ADA 0.8710
945 N8Y 0.8707
946 PSV 0.8705
947 94B 0.8704
948 MZB 0.8704
949 X0V 0.8702
950 PEP 0.8701
951 1AB 0.8700
952 6RQ 0.8693
953 1U6 0.8692
954 SVD 0.8691
955 PMB 0.8691
956 O2A 0.8690
957 F9Y 0.8689
958 948 0.8689
959 JZ4 0.8687
960 H8N 0.8686
961 DPZ 0.8685
962 9X7 0.8685
963 GXY 0.8684
964 4XS 0.8681
965 FH2 0.8681
966 GLU 0.8681
967 GTZ 0.8680
968 1LN 0.8678
969 8XQ 0.8676
970 FA1 0.8676
971 ZB1 0.8675
972 IOL 0.8674
973 PQ0 0.8673
974 6ME 0.8672
975 7ME 0.8671
976 7N0 0.8669
977 FA3 0.8669
978 ARW 0.8668
979 RMN 0.8668
980 HHN 0.8667
981 HA7 0.8665
982 FBA 0.8664
983 3SL 0.8662
984 TIU 0.8662
985 8WO 0.8660
986 MZW 0.8659
987 TMH 0.8658
988 E60 0.8654
989 40E 0.8652
990 93B 0.8651
991 4AX 0.8650
992 DYA 0.8650
993 LER 0.8645
994 GTL 0.8644
995 FCR 0.8642
996 FBU 0.8640
997 GIM 0.8640
998 MLI 0.8639
999 LI6 0.8638
1000 HTP 0.8637
1001 6JN 0.8635
1002 4JL 0.8633
1003 32O 0.8632
1004 DTL 0.8632
1005 4YO 0.8628
1006 NVI 0.8628
1007 FQI 0.8627
1008 0TU 0.8625
1009 PIH 0.8622
1010 GLT 0.8619
1011 OK7 0.8619
1012 MQN 0.8618
1013 MT5 0.8615
1014 AEZ 0.8615
1015 FBM 0.8614
1016 PRY 0.8610
1017 3PY 0.8608
1018 FBG 0.8604
1019 D3M 0.8604
1020 5GU 0.8603
1021 4TU 0.8602
1022 KG7 0.8602
1023 C5J 0.8601
1024 K6X 0.8600
1025 LFR 0.8600
1026 98J 0.8599
1027 069 0.8596
1028 HYP 0.8594
1029 AH8 0.8594
1030 F9P 0.8593
1031 3C1 0.8590
1032 NXA 0.8589
1033 E3D 0.8587
1034 XIX 0.8583
1035 3C2 0.8580
1036 2BG 0.8580
1037 G2H 0.8578
1038 MXN 0.8578
1039 OEM 0.8574
1040 4JQ 0.8570
1041 RB5 0.8564
1042 HGW 0.8560
1043 4FH 0.8559
1044 4JM 0.8559
1045 ZXD 0.8556
1046 Z5P 0.8554
1047 06B 0.8549
1048 PHU 0.8548
1049 PEL 0.8547
1050 ZZ8 0.8540
1051 BVC 0.8537
1052 K22 0.8533
Ligand no: 2; Ligand: IMR; Similar ligands found: 563
No: Ligand Similarity coefficient
1 R1X 0.9991
2 R2B 0.9973
3 JZ3 0.9663
4 RUU 0.9636
5 RIB 0.9612
6 BDR 0.9609
7 R8A 0.9591
8 APY 0.9542
9 HPY 0.9527
10 SYN 0.9524
11 NK 0.9524
12 ABN 0.9515
13 0R0 0.9513
14 5AC 0.9510
15 282 0.9508
16 PRI 0.9504
17 51F 0.9498
18 HBX 0.9478
19 URF 0.9476
20 280 0.9475
21 GAG 0.9441
22 NEQ 0.9435
23 AHR 0.9432
24 FPY 0.9425
25 1MR 0.9425
26 TZE 0.9425
27 XYS 0.9414
28 286 0.9412
29 BEW 0.9406
30 BE2 0.9405
31 NBE 0.9399
32 SAL 0.9392
33 278 0.9390
34 HBA 0.9379
35 OAA 0.9377
36 PYJ 0.9372
37 2KT 0.9368
38 WBU 0.9364
39 NVI 0.9362
40 NIO 0.9360
41 THR 0.9359
42 Z6J 0.9348
43 B24 0.9339
44 NCA 0.9339
45 MLT 0.9338
46 AMC 0.9334
47 3XX 0.9333
48 IPH 0.9328
49 JZ7 0.9327
50 BEZ 0.9321
51 PZA 0.9319
52 XYP 0.9314
53 BEN 0.9311
54 FPI 0.9309
55 9X7 0.9305
56 2DR 0.9301
57 2IM 0.9301
58 NBZ 0.9301
59 URA 0.9301
60 6PC 0.9296
61 23W 0.9290
62 KG7 0.9290
63 UNU 0.9286
64 CRS 0.9285
65 4CH 0.9283
66 HZP 0.9282
67 4VP 0.9280
68 BAM 0.9276
69 BAE 0.9275
70 26D 0.9273
71 KOJ 0.9272
72 MZ0 0.9269
73 NXA 0.9267
74 VAH 0.9267
75 DGY 0.9265
76 9CL 0.9264
77 4JU 0.9256
78 32O 0.9255
79 HCS 0.9255
80 UGC 0.9254
81 RIP 0.9251
82 60P 0.9249
83 1PT 0.9248
84 DAS 0.9247
85 LER 0.9245
86 IFM 0.9244
87 HSE 0.9241
88 BML 0.9237
89 HYP 0.9237
90 4XX 0.9232
91 IDM 0.9231
92 HAI 0.9229
93 4DX 0.9225
94 PCA 0.9224
95 261 0.9224
96 0MK 0.9223
97 GLL 0.9219
98 CYH 0.9218
99 CXL 0.9213
100 FP1 0.9212
101 ASP 0.9211
102 SNE 0.9208
103 NCM 0.9204
104 03W 0.9203
105 PBC 0.9202
106 FYU 0.9200
107 2PC 0.9200
108 3ZQ 0.9197
109 TMZ 0.9196
110 3U4 0.9195
111 JBN 0.9194
112 NTN 0.9193
113 OXZ 0.9192
114 2MH 0.9192
115 DFB 0.9190
116 QSC 0.9190
117 CYS 0.9190
118 SRT 0.9189
119 ILE 0.9189
120 9TY 0.9187
121 DXX 0.9185
122 DTL 0.9183
123 MRY 0.9183
124 ECE 0.9181
125 DCY 0.9177
126 LRH 0.9176
127 VNJ 0.9174
128 CRN 0.9173
129 93B 0.9173
130 NVA 0.9172
131 MRZ 0.9172
132 HIU 0.9172
133 3PY 0.9170
134 PAV 0.9170
135 GYE 0.9170
136 CMS 0.9169
137 BVG 0.9168
138 7N0 0.9165
139 TAR 0.9163
140 JZ1 0.9163
141 TFB 0.9161
142 PYC 0.9160
143 4JL 0.9159
144 IP0 0.9157
145 9YL 0.9156
146 192 0.9156
147 HY3 0.9151
148 7WG 0.9151
149 GIF 0.9150
150 MAN 0.9148
151 YCP 0.9147
152 FBA 0.9146
153 ICC 0.9142
154 2RA 0.9140
155 VGL 0.9140
156 PY7 0.9138
157 2XX 0.9138
158 OXQ 0.9138
159 IOM 0.9133
160 TZC 0.9132
161 YHO 0.9131
162 PZI 0.9130
163 H76 0.9128
164 PRO 0.9127
165 KIV 0.9126
166 V1L 0.9126
167 TMH 0.9123
168 HDA 0.9122
169 271 0.9121
170 40O 0.9119
171 BVC 0.9118
172 SS2 0.9118
173 A2Q 0.9118
174 OHG 0.9117
175 HY1 0.9116
176 SR1 0.9115
177 BZX 0.9114
178 ARB 0.9112
179 CXF 0.9108
180 8EZ 0.9108
181 ASN 0.9102
182 24B 0.9101
183 BP9 0.9097
184 HHA 0.9093
185 ARA 0.9091
186 TMT 0.9089
187 7A8 0.9089
188 4XR 0.9089
189 HMH 0.9087
190 ABA 0.9087
191 PAF 0.9083
192 DUC 0.9082
193 C2N 0.9081
194 FOA 0.9077
195 4HO 0.9077
196 M58 0.9075
197 JZ9 0.9075
198 AC5 0.9073
199 SMB 0.9073
200 CEE 0.9072
201 FAN 0.9071
202 CEJ 0.9071
203 VAL 0.9071
204 SER 0.9070
205 7EX 0.9068
206 IFL 0.9067
207 FLA 0.9067
208 IDH 0.9063
209 40E 0.9060
210 YTB 0.9060
211 4ZE 0.9057
212 LG4 0.9056
213 C2B 0.9053
214 F81 0.9052
215 MLA 0.9048
216 PCR 0.9046
217 L60 0.9046
218 MWM 0.9045
219 WTZ 0.9044
220 8H8 0.9043
221 2EZ 0.9043
222 PTO 0.9041
223 HVQ 0.9040
224 JZ4 0.9040
225 938 0.9040
226 FUB 0.9039
227 GBD 0.9038
228 H3M 0.9037
229 1DU 0.9037
230 JZ5 0.9037
231 FUM 0.9037
232 SIN 0.9037
233 4HS 0.9036
234 MCT 0.9035
235 HQE 0.9033
236 DSN 0.9033
237 4AX 0.9032
238 A1U 0.9032
239 KPL 0.9031
240 AHB 0.9031
241 RSF 0.9030
242 34V 0.9027
243 TH7 0.9026
244 284 0.9025
245 TEO 0.9024
246 PBE 0.9022
247 HYA 0.9019
248 LMR 0.9018
249 EHM 0.9018
250 HSM 0.9018
251 ARW 0.9013
252 1MC 0.9012
253 PEA 0.9007
254 RNS 0.9007
255 BR9 0.9006
256 AKB 0.9006
257 69O 0.9004
258 A3B 0.9003
259 MLI 0.9002
260 MAE 0.9001
261 23A 0.8999
262 1AC 0.8999
263 MZG 0.8997
264 SS1 0.8996
265 4JJ 0.8996
266 HSL 0.8995
267 THE 0.8994
268 TLA 0.8994
269 25R 0.8993
270 GOO 0.8993
271 27Y 0.8993
272 BNS 0.8993
273 ZZT 0.8992
274 PYF 0.8992
275 4SV 0.8991
276 TNE 0.8990
277 NSP 0.8989
278 XBZ 0.8988
279 PXY 0.8987
280 DA1 0.8986
281 ITN 0.8986
282 273 0.8984
283 GXE 0.8982
284 FCA 0.8982
285 0CT 0.8982
286 2LP 0.8981
287 ALO 0.8979
288 HV2 0.8979
289 2YU 0.8974
290 TDR 0.8970
291 RSO 0.8970
292 PLQ 0.8970
293 O7U 0.8969
294 FPN 0.8968
295 HHN 0.8968
296 PEL 0.8967
297 DAB 0.8966
298 MWJ 0.8965
299 RCO 0.8962
300 HGW 0.8962
301 DE2 0.8961
302 4JN 0.8961
303 CHT 0.8957
304 MBN 0.8956
305 4CL 0.8955
306 MET 0.8955
307 3V4 0.8954
308 LG5 0.8953
309 MZW 0.8951
310 BMA 0.8950
311 SKM 0.8949
312 PRS 0.8947
313 DTU 0.8947
314 ASC 0.8946
315 C21 0.8943
316 TTO 0.8942
317 2AC 0.8942
318 HUI 0.8942
319 CYT 0.8941
320 CIZ 0.8940
321 BSX 0.8940
322 NPO 0.8940
323 ROR 0.8938
324 5JC 0.8938
325 XUL 0.8936
326 BGC 0.8936
327 LG3 0.8934
328 PAE 0.8932
329 3SY 0.8930
330 ICP 0.8928
331 SVJ 0.8928
332 G2F 0.8927
333 4CS 0.8926
334 DCD 0.8926
335 C2A 0.8925
336 ABE 0.8923
337 XYD 0.8922
338 1LN 0.8920
339 BZI 0.8920
340 RBL 0.8918
341 PIH 0.8918
342 XLS 0.8917
343 285 0.8917
344 DTT 0.8916
345 BVF 0.8915
346 HX3 0.8915
347 WOT 0.8914
348 6CS 0.8913
349 IOL 0.8911
350 TH0 0.8911
351 LGA 0.8911
352 IT2 0.8910
353 TM7 0.8907
354 2AP 0.8907
355 23B 0.8907
356 PHB 0.8905
357 Z82 0.8905
358 RB5 0.8904
359 XYL 0.8904
360 RB0 0.8904
361 HVK 0.8903
362 FUC 0.8901
363 SPA 0.8901
364 3CH 0.8899
365 GLC 0.8898
366 39J 0.8898
367 3DO 0.8897
368 3AP 0.8897
369 HMU 0.8896
370 PAB 0.8896
371 8CL 0.8895
372 X6X 0.8894
373 ICN 0.8894
374 COI 0.8894
375 BZF 0.8893
376 98J 0.8892
377 XM0 0.8892
378 ETM 0.8891
379 TZZ 0.8890
380 CP 0.8889
381 RM4 0.8887
382 HRZ 0.8887
383 34A 0.8887
384 DEN 0.8887
385 G4D 0.8886
386 275 0.8883
387 RAM 0.8882
388 4RW 0.8882
389 4JM 0.8881
390 4AP 0.8879
391 GLA 0.8876
392 CAM 0.8876
393 5HY 0.8874
394 9PO 0.8871
395 ICF 0.8869
396 5UC 0.8869
397 DBB 0.8868
398 FUF 0.8866
399 IND 0.8864
400 JZ2 0.8863
401 4JO 0.8863
402 IQ0 0.8861
403 43M 0.8858
404 GVH 0.8854
405 C5J 0.8853
406 CIG 0.8852
407 AC6 0.8851
408 5MH 0.8850
409 SSN 0.8850
410 HT4 0.8849
411 KP6 0.8848
412 PYD 0.8846
413 2MP 0.8845
414 DMV 0.8845
415 0TR 0.8845
416 FCB 0.8843
417 B3R 0.8842
418 25T 0.8841
419 FPK 0.8840
420 NMG 0.8839
421 J1Z 0.8838
422 Y8I 0.8836
423 1DH 0.8835
424 PEP 0.8834
425 8GF 0.8832
426 QFH 0.8829
427 DFU 0.8828
428 47J 0.8823
429 FJO 0.8823
430 HX2 0.8822
431 BDF 0.8820
432 2AL 0.8820
433 GAL 0.8820
434 QY9 0.8818
435 4FA 0.8817
436 QDK 0.8816
437 MUC 0.8815
438 3OC 0.8815
439 LEU 0.8814
440 H8N 0.8813
441 FUL 0.8812
442 BTL 0.8811
443 YRL 0.8810
444 FW5 0.8810
445 SPV 0.8809
446 DMG 0.8809
447 ODV 0.8808
448 L3Q 0.8807
449 PAC 0.8806
450 IT9 0.8806
451 6LW 0.8805
452 PRY 0.8802
453 SC2 0.8802
454 LZ1 0.8800
455 AC0 0.8799
456 ALL 0.8799
457 AH8 0.8799
458 DHS 0.8792
459 RBJ 0.8792
460 IF7 0.8791
461 ISZ 0.8791
462 GG6 0.8790
463 GAF 0.8790
464 MPI 0.8789
465 0R1 0.8786
466 GLN 0.8785
467 717 0.8785
468 TB6 0.8778
469 ASO 0.8776
470 MZB 0.8776
471 ORN 0.8775
472 AEF 0.8774
473 2AS 0.8774
474 IHG 0.8770
475 LCN 0.8763
476 PBZ 0.8761
477 UYA 0.8760
478 HYN 0.8760
479 URQ 0.8760
480 13P 0.8757
481 4MV 0.8756
482 3DY 0.8754
483 HIO 0.8754
484 GCS 0.8754
485 G3F 0.8753
486 4P0 0.8748
487 2TQ 0.8743
488 2CO 0.8742
489 54D 0.8738
490 DPF 0.8735
491 149 0.8732
492 PSV 0.8729
493 AAE 0.8729
494 SW7 0.8726
495 SGL 0.8726
496 2FG 0.8724
497 14O 0.8723
498 2HE 0.8722
499 HBD 0.8720
500 PGA 0.8716
501 4NG 0.8716
502 T2C 0.8716
503 5H1 0.8714
504 MNM 0.8713
505 OEM 0.8710
506 DZX 0.8706
507 OK7 0.8706
508 270 0.8704
509 TAU 0.8695
510 MED 0.8694
511 GXL 0.8692
512 AX7 0.8691
513 IXW 0.8691
514 PPR 0.8687
515 7CZ 0.8685
516 NOY 0.8685
517 XIX 0.8681
518 E60 0.8681
519 TLD 0.8679
520 4JP 0.8679
521 ISD 0.8679
522 M6W 0.8677
523 DPR 0.8676
524 IUR 0.8674
525 449 0.8669
526 GZL 0.8668
527 24T 0.8655
528 DHK 0.8654
529 UY7 0.8654
530 OHP 0.8653
531 PHU 0.8651
532 IPM 0.8649
533 1SP 0.8645
534 CSS 0.8639
535 N8P 0.8633
536 IZC 0.8625
537 3SL 0.8624
538 1P3 0.8622
539 KBG 0.8621
540 LFR 0.8619
541 R9S 0.8615
542 I2M 0.8613
543 JYD 0.8613
544 YIO 0.8610
545 I4B 0.8606
546 2K4 0.8604
547 BAL 0.8602
548 DOR 0.8601
549 TPA 0.8597
550 P92 0.8594
551 KMT 0.8587
552 SJ5 0.8584
553 8X3 0.8584
554 RNT 0.8583
555 SF6 0.8577
556 2MI 0.8560
557 1GN 0.8554
558 6AI 0.8552
559 265 0.8552
560 AI2 0.8540
561 2PG 0.8540
562 9RW 0.8532
563 F60 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1G2O; Ligand: IMH; 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: 1g2o.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1G2O; Ligand: IMH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1g2o.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1G2O; Ligand: IMH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1g2o.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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