Receptor
PDB id Resolution Class Description Source Keywords
1R16 2 Å EC: 3.2.2.5 APLYSIA ADP RIBOSYL CYCLASE WITH BOUND PYRIDYLCARBINOL AND R5P APLYSIA CALIFORNICA ADP-RIBOSYL CYCLASE X-RAY CRYSTALLOGRAPHY CYCLIC ADP- RIBOSE NAADP CA2+ SIGNALLING HYDROLASE
Ref.: ADP-RIBOSYL CYCLASE; CRYSTAL STRUCTURES REVEAL A COVALENT INTERMEDIATE. STRUCTURE V. 12 477 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
N A:1179;
B:1179;
 Invalid;
Invalid;
 none;
none;
 submit data
214.11 C5 H11 O7 P C1[C@...
PYF A:400;
B:300;
 Valid;
Valid;
 none;
none;
 submit data
109.126 C6 H7 N O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3I9L 1.75 Å EC: 3.2.2.5 CRYSTAL STRUCTURE OF ADP RIBOSYL CYCLASE COMPLEXED WITH N1-C APLYSIA CALIFORNICA HOMODIMER ENZYME-PRODUCT ANALOG COMPLEX ADP-RIBOSYL CYCLASDISULFIDE BOND FERTILIZATION HYDROLASE NAD
Ref.: STRUCTURAL BASIS FOR ENZYMATIC EVOLUTION FROM A DED ADP-RIBOSYL CYCLASE TO A MULTIFUNCTIONAL NAD HYDROL J.BIOL.CHEM. V. 284 27637 2009
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3I9L - N1C C15 H20 N4 O14 P2 c1nc2c3n1[....
2 1R15 - NCA C6 H6 N2 O c1cc(cnc1)....
3 3ZWO - NGD C21 H28 N7 O15 P2 c1cc(c[n+]....
4 3ZWN - NGD C21 H28 N7 O15 P2 c1cc(c[n+]....
5 3I9K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1R16 - PYF C6 H7 N O c1cc(cnc1)....
7 3ZWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 3I9J - NCA C6 H6 N2 O c1cc(cnc1)....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3I9L - N1C C15 H20 N4 O14 P2 c1nc2c3n1[....
2 1R15 - NCA C6 H6 N2 O c1cc(cnc1)....
3 3ZWO - NGD C21 H28 N7 O15 P2 c1cc(c[n+]....
4 3ZWN - NGD C21 H28 N7 O15 P2 c1cc(c[n+]....
5 3I9K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1R16 - PYF C6 H7 N O c1cc(cnc1)....
7 3ZWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 3I9J - NCA C6 H6 N2 O c1cc(cnc1)....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ISI - NCA C6 H6 N2 O c1cc(cnc1)....
2 1ISJ - NMN C11 H16 N2 O8 P c1cc(c[n+]....
3 1ISH - ENP C17 H24 N5 O17 P3 c1cn2cnc3c....
4 3I9L - N1C C15 H20 N4 O14 P2 c1nc2c3n1[....
5 1R15 - NCA C6 H6 N2 O c1cc(cnc1)....
6 3ZWO - NGD C21 H28 N7 O15 P2 c1cc(c[n+]....
7 3ZWN - NGD C21 H28 N7 O15 P2 c1cc(c[n+]....
8 3I9K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1R16 - PYF C6 H7 N O c1cc(cnc1)....
10 3ZWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 3I9J - NCA C6 H6 N2 O c1cc(cnc1)....
12 4OGW - NMN C11 H16 N2 O8 P c1cc(c[n+]....
13 3ROP - NCA C6 H6 N2 O c1cc(cnc1)....
14 3DZG - NCA C6 H6 N2 O c1cc(cnc1)....
15 2HCT - NMN C11 H16 N2 O8 P c1cc(c[n+]....
16 2I66 - G1R G1R n/a n/a
17 2O3S - CXR C15 H21 N5 O13 P2 [H]/N=C/1c....
18 3DZI - RGT C15 H25 N5 O21 P4 c1nc2c(n1[....
19 2I67 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
20 3DZK - NMN C11 H16 N2 O8 P c1cc(c[n+]....
21 3DZH - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 4TMF - JS2 C14 H23 N5 O12 P2 C1=Nc2c(nc....
23 2PGJ ic50 = 0.26 mM N1C C15 H20 N4 O14 P2 c1nc2c3n1[....
24 3DZJ - NMN C11 H16 N2 O8 P c1cc(c[n+]....
25 2O3Q - CXR C15 H21 N5 O13 P2 [H]/N=C/1c....
26 2O3T - CGR C15 H23 N5 O14 P2 C1[C@@H]2[....
27 2I65 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PYF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PYF 1 1
2 PY7 0.4 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: PYF; Similar ligands found: 940
No: Ligand Similarity coefficient
1 HBX 1.0000
2 282 1.0000
3 ABN 1.0000
4 AMC 1.0000
5 FPI 1.0000
6 SYN 0.9972
7 NBE 0.9955
8 RSO 0.9837
9 1MR 0.9830
10 MZ0 0.9786
11 NCA 0.9774
12 GXE 0.9766
13 FAN 0.9762
14 BEN 0.9762
15 BEZ 0.9759
16 NVI 0.9746
17 BAM 0.9744
18 NTN 0.9734
19 PBC 0.9731
20 CXL 0.9731
21 6PC 0.9725
22 NIO 0.9722
23 CYH 0.9721
24 YCP 0.9718
25 IPH 0.9707
26 APY 0.9699
27 HAI 0.9697
28 1PT 0.9694
29 PZA 0.9693
30 HBA 0.9691
31 VGL 0.9690
32 MBN 0.9688
33 PYJ 0.9680
34 B24 0.9677
35 TTO 0.9676
36 FOA 0.9676
37 4JU 0.9675
38 HHN 0.9674
39 9CL 0.9672
40 NBZ 0.9670
41 1DU 0.9665
42 8CL 0.9662
43 HVQ 0.9659
44 PHB 0.9657
45 HGW 0.9654
46 2MH 0.9653
47 WOT 0.9653
48 AC0 0.9652
49 V1L 0.9648
50 3AP 0.9645
51 UNU 0.9642
52 PEA 0.9638
53 SS1 0.9632
54 2AP 0.9628
55 PIH 0.9626
56 LG4 0.9625
57 9X7 0.9622
58 4AP 0.9615
59 CXF 0.9614
60 BML 0.9603
61 BVC 0.9603
62 LGA 0.9595
63 2IM 0.9595
64 HRZ 0.9594
65 PRO 0.9593
66 0R0 0.9589
67 PCR 0.9585
68 HVK 0.9581
69 HSM 0.9578
70 PYC 0.9576
71 DEN 0.9572
72 A2Q 0.9571
73 JZ3 0.9570
74 HQE 0.9570
75 C21 0.9567
76 PLQ 0.9566
77 BE7 0.9565
78 H8N 0.9565
79 4VP 0.9560
80 AHR 0.9559
81 9PO 0.9558
82 4HS 0.9552
83 DA1 0.9551
84 BVG 0.9547
85 284 0.9545
86 R8A 0.9540
87 4CH 0.9539
88 OHG 0.9537
89 FPN 0.9534
90 OXQ 0.9531
91 BZF 0.9528
92 IND 0.9527
93 PXY 0.9526
94 TZC 0.9526
95 MZW 0.9525
96 25R 0.9524
97 CRS 0.9522
98 NK 0.9522
99 RCO 0.9520
100 BNS 0.9515
101 QSC 0.9513
102 SMV 0.9512
103 TP5 0.9512
104 4JN 0.9509
105 MCT 0.9504
106 LZ1 0.9503
107 2PC 0.9503
108 C2B 0.9502
109 M58 0.9501
110 JBN 0.9499
111 CYS 0.9499
112 4JP 0.9495
113 BZI 0.9494
114 GVH 0.9492
115 URF 0.9489
116 URA 0.9486
117 IDM 0.9484
118 278 0.9481
119 4HO 0.9481
120 LG3 0.9479
121 CYT 0.9478
122 3CH 0.9477
123 1MC 0.9475
124 4JL 0.9475
125 HIU 0.9475
126 273 0.9470
127 J1Z 0.9470
128 BP9 0.9469
129 MPI 0.9465
130 BVF 0.9464
131 SS2 0.9463
132 ECE 0.9461
133 IT2 0.9460
134 4XR 0.9455
135 HPY 0.9455
136 93B 0.9453
137 LG5 0.9452
138 26D 0.9451
139 FBA 0.9450
140 NPO 0.9444
141 0R1 0.9444
142 GAG 0.9438
143 HGQ 0.9436
144 280 0.9436
145 FPY 0.9435
146 RSF 0.9432
147 0CT 0.9432
148 IOL 0.9432
149 MZG 0.9428
150 HY1 0.9427
151 LDU 0.9427
152 4ZE 0.9426
153 1Y6 0.9425
154 69O 0.9424
155 DMG 0.9423
156 MWM 0.9422
157 NMJ 0.9422
158 286 0.9420
159 261 0.9413
160 24T 0.9413
161 HBD 0.9410
162 8GC 0.9404
163 265 0.9402
164 BR9 0.9401
165 WBU 0.9399
166 TDR 0.9399
167 M3T 0.9398
168 CIG 0.9398
169 GBD 0.9398
170 HSE 0.9398
171 SAL 0.9395
172 4CL 0.9395
173 AX7 0.9395
174 1DH 0.9394
175 4JJ 0.9393
176 2DR 0.9393
177 27Y 0.9392
178 HEW 0.9390
179 270 0.9387
180 XBZ 0.9384
181 ABV 0.9383
182 MLA 0.9383
183 OAA 0.9379
184 B3R 0.9378
185 7WG 0.9377
186 2AC 0.9377
187 2KT 0.9376
188 L60 0.9376
189 3AB 0.9373
190 A1U 0.9372
191 TH0 0.9372
192 H3M 0.9371
193 25T 0.9368
194 HY3 0.9367
195 2MI 0.9364
196 JZ5 0.9363
197 4JM 0.9362
198 MWJ 0.9362
199 8GF 0.9362
200 ICP 0.9361
201 RIB 0.9361
202 BE2 0.9359
203 E60 0.9358
204 DUC 0.9350
205 5JC 0.9343
206 4H2 0.9343
207 TFB 0.9343
208 9YL 0.9342
209 JZ2 0.9342
210 XYD 0.9341
211 HHQ 0.9341
212 3PY 0.9341
213 TMZ 0.9339
214 XM0 0.9338
215 PAB 0.9338
216 P92 0.9338
217 PCA 0.9333
218 KOJ 0.9331
219 5MH 0.9329
220 4XX 0.9329
221 FP1 0.9328
222 4SV 0.9328
223 GAB 0.9327
224 23A 0.9327
225 275 0.9327
226 P3K 0.9326
227 HT4 0.9325
228 4CS 0.9324
229 VAL 0.9323
230 285 0.9322
231 TM7 0.9322
232 MLI 0.9321
233 2YU 0.9320
234 23W 0.9320
235 CEJ 0.9317
236 2EZ 0.9316
237 JAB 0.9316
238 5AC 0.9313
239 P72 0.9312
240 DSN 0.9312
241 4MA 0.9311
242 3HB 0.9311
243 3ZQ 0.9311
244 ICC 0.9310
245 PEL 0.9310
246 PBZ 0.9308
247 5UC 0.9306
248 UGC 0.9305
249 BZX 0.9301
250 SER 0.9301
251 53C 0.9299
252 5HN 0.9298
253 3NT 0.9298
254 PRI 0.9297
255 4FA 0.9295
256 34A 0.9292
257 ES6 0.9290
258 ISZ 0.9290
259 826 0.9289
260 3U4 0.9287
261 JZ7 0.9287
262 7EX 0.9286
263 2MP 0.9283
264 DGY 0.9282
265 C2A 0.9280
266 PYD 0.9277
267 174 0.9273
268 OVV 0.9273
269 Z82 0.9273
270 SW7 0.9272
271 3OC 0.9271
272 R2B 0.9269
273 JBE 0.9267
274 DFB 0.9258
275 KG7 0.9258
276 2CH 0.9258
277 PYZ 0.9257
278 MLT 0.9255
279 C5J 0.9254
280 1WD 0.9253
281 717 0.9252
282 7WV 0.9251
283 OK7 0.9248
284 JZ1 0.9248
285 JKE 0.9247
286 P2D 0.9247
287 UY7 0.9246
288 WCE 0.9245
289 60P 0.9245
290 ASP 0.9244
291 KIV 0.9243
292 6AI 0.9242
293 BRT 0.9242
294 BEW 0.9242
295 MAK 0.9240
296 AC6 0.9240
297 3BZ 0.9240
298 CEE 0.9239
299 4MZ 0.9239
300 HYN 0.9237
301 6X8 0.9235
302 BYZ 0.9233
303 938 0.9233
304 ASN 0.9233
305 5KX 0.9231
306 ADE 0.9229
307 XYP 0.9229
308 3MT 0.9228
309 43M 0.9226
310 5MI 0.9224
311 5H1 0.9224
312 3XX 0.9219
313 54D 0.9218
314 93Q 0.9218
315 14O 0.9217
316 HPA 0.9217
317 TPA 0.9215
318 2LP 0.9215
319 DTL 0.9214
320 ES3 0.9211
321 NOJ 0.9211
322 5MB 0.9210
323 14J 0.9209
324 T2C 0.9207
325 FYU 0.9207
326 DHR 0.9207
327 F60 0.9206
328 3SK 0.9206
329 2K4 0.9205
330 Y8I 0.9202
331 1AN 0.9202
332 GLC 0.9202
333 S76 0.9201
334 CFI 0.9200
335 TZE 0.9198
336 IDH 0.9197
337 F81 0.9193
338 JZ6 0.9192
339 271 0.9190
340 NIZ 0.9189
341 XIX 0.9186
342 5MP 0.9182
343 ES9 0.9181
344 47J 0.9181
345 CAQ 0.9178
346 2MZ 0.9178
347 51F 0.9177
348 JZ9 0.9176
349 PHU 0.9176
350 VNJ 0.9175
351 JAE 0.9173
352 LMR 0.9173
353 FB2 0.9172
354 ABA 0.9171
355 PZI 0.9171
356 BHO 0.9170
357 11S 0.9169
358 10L 0.9169
359 8LG 0.9169
360 HTS 0.9168
361 PYG 0.9168
362 YRL 0.9167
363 PAC 0.9165
364 1CB 0.9165
365 GIF 0.9164
366 AGK 0.9164
367 AZF 0.9164
368 GOL 0.9164
369 NVA 0.9162
370 NPY 0.9161
371 TMT 0.9159
372 L89 0.9159
373 QUZ 0.9158
374 IFM 0.9158
375 M4T 0.9157
376 FP2 0.9157
377 DHB 0.9156
378 LER 0.9155
379 FQI 0.9155
380 PRS 0.9154
381 PMB 0.9152
382 1MZ 0.9152
383 40O 0.9152
384 LXC 0.9152
385 MAE 0.9147
386 M2H 0.9147
387 AEF 0.9145
388 2A7 0.9144
389 IP0 0.9144
390 SAR 0.9144
391 3TR 0.9141
392 I1E 0.9140
393 IUR 0.9139
394 2CK 0.9139
395 BSX 0.9139
396 SWD 0.9137
397 HX3 0.9136
398 92Z 0.9135
399 9DA 0.9131
400 7HP 0.9130
401 QY9 0.9130
402 KYD 0.9129
403 9HX 0.9128
404 MB3 0.9128
405 3MC 0.9127
406 3Z7 0.9126
407 1AB 0.9125
408 URS 0.9124
409 HMH 0.9124
410 JFJ 0.9123
411 BAQ 0.9123
412 Q88 0.9122
413 MMZ 0.9120
414 FW5 0.9120
415 XBT 0.9120
416 8H8 0.9120
417 JLZ 0.9119
418 ATQ 0.9119
419 NEQ 0.9119
420 3CE 0.9118
421 LEA 0.9117
422 H4N 0.9115
423 NNO 0.9114
424 THR 0.9114
425 2HO 0.9113
426 FK1 0.9112
427 INO 0.9111
428 24B 0.9111
429 ITN 0.9110
430 F05 0.9110
431 3HM 0.9108
432 MBD 0.9108
433 2AF 0.9107
434 7N0 0.9107
435 9EW 0.9107
436 6M9 0.9107
437 EDG 0.9107
438 DAB 0.9106
439 DCY 0.9106
440 4NC 0.9104
441 XX2 0.9104
442 0RW 0.9103
443 FHB 0.9102
444 ES0 0.9101
445 4JO 0.9100
446 AMT 0.9099
447 HLR 0.9098
448 DXX 0.9098
449 4A3 0.9097
450 YHO 0.9097
451 BAL 0.9096
452 CWM 0.9094
453 HOW 0.9094
454 3HA 0.9093
455 93K 0.9091
456 6MH 0.9091
457 IQ0 0.9090
458 1DW 0.9090
459 DBH 0.9088
460 7WA 0.9088
461 ES4 0.9088
462 1DQ 0.9088
463 ABU 0.9087
464 258 0.9087
465 AAE 0.9086
466 HSL 0.9085
467 MLM 0.9082
468 MZY 0.9082
469 TM4 0.9082
470 2C9 0.9080
471 DYA 0.9080
472 HCS 0.9078
473 0TR 0.9078
474 MYJ 0.9074
475 6MP 0.9073
476 RUU 0.9073
477 CRN 0.9073
478 MR3 0.9070
479 7CZ 0.9070
480 FBM 0.9070
481 P9P 0.9069
482 40E 0.9069
483 2AI 0.9069
484 3MH 0.9068
485 MRZ 0.9068
486 SVN 0.9067
487 JIF 0.9066
488 BP1 0.9066
489 DUB 0.9065
490 PM6 0.9064
491 ZBT 0.9063
492 ORN 0.9055
493 3F0 0.9054
494 M6W 0.9053
495 OXZ 0.9052
496 TLA 0.9051
497 GJZ 0.9050
498 3FA 0.9050
499 TLD 0.9049
500 R1X 0.9048
501 HMU 0.9044
502 DPR 0.9042
503 6M4 0.9042
504 GBL 0.9041
505 HYP 0.9038
506 SSN 0.9037
507 CHB 0.9037
508 ORO 0.9033
509 9TW 0.9031
510 FLM 0.9031
511 RIP 0.9031
512 OXE 0.9030
513 ZZ3 0.9029
514 6UA 0.9028
515 03W 0.9028
516 JBK 0.9027
517 SIN 0.9026
518 AX2 0.9026
519 3M0 0.9024
520 HX2 0.9024
521 TH7 0.9023
522 4ZC 0.9022
523 XYS 0.9019
524 TZL 0.9018
525 1XX 0.9018
526 ZZT 0.9015
527 2CM 0.9015
528 MEU 0.9014
529 GYE 0.9013
530 2MY 0.9013
531 COI 0.9013
532 FEH 0.9012
533 8NY 0.9011
534 268 0.9010
535 2D0 0.9006
536 FFP 0.9006
537 H76 0.9004
538 7MH 0.9004
539 HDA 0.9002
540 QSB 0.8999
541 76X 0.8999
542 BTE 0.8997
543 BMD 0.8997
544 1P3 0.8995
545 MRY 0.8995
546 3OH 0.8994
547 IMR 0.8992
548 IHB 0.8991
549 0MK 0.8990
550 3AY 0.8989
551 T6C 0.8987
552 EGD 0.8987
553 KMT 0.8986
554 5AN 0.8986
555 NSP 0.8983
556 13X 0.8983
557 GMN 0.8982
558 49F 0.8981
559 SRT 0.8979
560 BUA 0.8979
561 DMI 0.8977
562 JB5 0.8976
563 HHA 0.8973
564 BNF 0.8973
565 FUC 0.8973
566 HUI 0.8971
567 DAS 0.8970
568 DGJ 0.8969
569 PBE 0.8968
570 FUL 0.8966
571 TEO 0.8965
572 MMU 0.8965
573 CIZ 0.8962
574 WDL 0.8962
575 COU 0.8961
576 5ZE 0.8960
577 DOR 0.8960
578 URP 0.8959
579 BR8 0.8959
580 URQ 0.8957
581 3ID 0.8957
582 DTI 0.8956
583 ALO 0.8954
584 82I 0.8953
585 03V 0.8951
586 67N 0.8951
587 DFU 0.8949
588 ES2 0.8948
589 G2F 0.8947
590 MET 0.8946
591 6M1 0.8944
592 F9P 0.8940
593 SHA 0.8940
594 ES5 0.8939
595 GAL 0.8937
596 FA0 0.8937
597 4P5 0.8935
598 JZ0 0.8933
599 94N 0.8930
600 YAN 0.8930
601 N5J 0.8928
602 DOB 0.8927
603 RP7 0.8922
604 2ZX 0.8922
605 CLW 0.8921
606 ITU 0.8921
607 FUM 0.8921
608 FBJ 0.8920
609 1P8 0.8919
610 XIY 0.8919
611 D1X 0.8918
612 4FS 0.8918
613 DTU 0.8917
614 1SQ 0.8916
615 PRA 0.8916
616 35C 0.8913
617 5CU 0.8913
618 C2N 0.8912
619 2AQ 0.8911
620 XQ0 0.8911
621 ERH 0.8911
622 32O 0.8911
623 FLA 0.8911
624 G3F 0.8909
625 SGL 0.8909
626 4M0 0.8909
627 ET2 0.8908
628 Z6J 0.8904
629 1LQ 0.8903
630 OXC 0.8903
631 34D 0.8902
632 2ZV 0.8900
633 HIO 0.8899
634 FB1 0.8898
635 5OB 0.8897
636 M1A 0.8897
637 CP 0.8897
638 BHA 0.8894
639 6F0 0.8892
640 9TY 0.8892
641 VGD 0.8891
642 1M2 0.8889
643 24W 0.8889
644 ES1 0.8888
645 ILE 0.8888
646 4SD 0.8886
647 VKC 0.8885
648 5SG 0.8885
649 JBH 0.8883
650 JPZ 0.8883
651 5WV 0.8883
652 1SP 0.8882
653 ASO 0.8880
654 H42 0.8880
655 1LM 0.8879
656 K2T 0.8879
657 R8S 0.8877
658 THE 0.8877
659 CHT 0.8877
660 4YS 0.8876
661 AW5 0.8876
662 GRE 0.8875
663 36R 0.8875
664 DMD 0.8875
665 5IQ 0.8874
666 KPL 0.8873
667 1NP 0.8873
668 ARB 0.8873
669 G4D 0.8872
670 ISN 0.8871
671 8EZ 0.8871
672 OCH 0.8870
673 5Q0 0.8870
674 FBV 0.8867
675 FBB 0.8866
676 5NU 0.8866
677 5VM 0.8865
678 1LN 0.8865
679 9TZ 0.8863
680 IF7 0.8862
681 5RG 0.8862
682 NXA 0.8862
683 2BG 0.8862
684 MTG 0.8860
685 2CQ 0.8860
686 JA8 0.8859
687 IHG 0.8859
688 1P7 0.8857
689 MAN 0.8857
690 TSU 0.8856
691 HQY 0.8855
692 SLP 0.8855
693 GLU 0.8855
694 6CS 0.8854
695 BUB 0.8853
696 2RH 0.8853
697 1DV 0.8851
698 PKU 0.8849
699 BZ3 0.8848
700 4ZA 0.8846
701 I3A 0.8846
702 ARA 0.8845
703 SJ5 0.8845
704 TBP 0.8845
705 LEU 0.8845
706 DHS 0.8845
707 UYA 0.8845
708 DHK 0.8842
709 SPA 0.8841
710 ICF 0.8837
711 NYL 0.8837
712 2AL 0.8837
713 7MU 0.8836
714 PAE 0.8836
715 ABE 0.8835
716 2RA 0.8834
717 IOM 0.8834
718 9DG 0.8832
719 150 0.8830
720 PRY 0.8830
721 7HQ 0.8830
722 F9Y 0.8829
723 4AX 0.8829
724 TCZ 0.8828
725 BAE 0.8828
726 192 0.8827
727 GUA 0.8827
728 KKN 0.8827
729 51R 0.8826
730 ES7 0.8826
731 XRG 0.8826
732 LZM 0.8824
733 FBW 0.8823
734 4JT 0.8822
735 RM1 0.8821
736 AZA 0.8821
737 HZP 0.8820
738 GTQ 0.8820
739 JZ4 0.8820
740 GUN 0.8820
741 ODV 0.8820
742 IFL 0.8818
743 A3B 0.8817
744 5M0 0.8816
745 IZC 0.8813
746 4WL 0.8809
747 42A 0.8807
748 12M 0.8807
749 2XX 0.8805
750 BXO 0.8802
751 CSS 0.8801
752 GDE 0.8801
753 PZM 0.8800
754 JYD 0.8800
755 SAN 0.8800
756 LDP 0.8799
757 HDH 0.8799
758 7W4 0.8798
759 264 0.8797
760 5B1 0.8796
761 3SL 0.8796
762 069 0.8793
763 FUF 0.8793
764 MR1 0.8791
765 RHU 0.8790
766 GOO 0.8790
767 7B4 0.8789
768 54G 0.8788
769 TIU 0.8787
770 XCZ 0.8785
771 RB5 0.8785
772 4XH 0.8782
773 ADZ 0.8781
774 F4Z 0.8781
775 2HA 0.8777
776 XAN 0.8775
777 MNN 0.8774
778 6GU 0.8773
779 XUL 0.8772
780 A8C 0.8772
781 FCR 0.8772
782 PUT 0.8771
783 45C 0.8771
784 1DJ 0.8770
785 A2F 0.8768
786 PAF 0.8764
787 IGA 0.8764
788 OPE 0.8763
789 FBS 0.8763
790 DBB 0.8763
791 RBJ 0.8762
792 EV0 0.8761
793 HH5 0.8760
794 QWN 0.8760
795 K34 0.8760
796 DMJ 0.8760
797 MXN 0.8760
798 MSF 0.8758
799 HH8 0.8757
800 NOY 0.8756
801 CFP 0.8756
802 DX4 0.8756
803 FUB 0.8755
804 6AP 0.8755
805 F0J 0.8753
806 1WG 0.8752
807 1SA 0.8752
808 5MK 0.8751
809 SX1 0.8746
810 4HM 0.8745
811 V55 0.8743
812 QOS 0.8742
813 AAS 0.8741
814 SKM 0.8733
815 TYL 0.8731
816 4J8 0.8729
817 1XN 0.8727
818 TAR 0.8727
819 JFD 0.8725
820 3DM 0.8722
821 42J 0.8721
822 MED 0.8720
823 2FG 0.8716
824 141 0.8714
825 0CU 0.8712
826 4AA 0.8710
827 SPV 0.8710
828 6SP 0.8709
829 L3Q 0.8704
830 4XV 0.8702
831 BOA 0.8697
832 FGZ 0.8696
833 PEP 0.8696
834 1XM 0.8693
835 PG3 0.8693
836 GAF 0.8692
837 I4B 0.8690
838 IVA 0.8689
839 MNM 0.8688
840 AKG 0.8688
841 ADK 0.8688
842 QXW 0.8687
843 IV2 0.8685
844 4M4 0.8683
845 98J 0.8682
846 XQG 0.8681
847 GLA 0.8679
848 YH7 0.8678
849 3HL 0.8678
850 290 0.8672
851 AKB 0.8671
852 ETX 0.8670
853 2A9 0.8670
854 8OZ 0.8667
855 IPB 0.8665
856 AC5 0.8665
857 OGA 0.8663
858 EQT 0.8662
859 O7U 0.8661
860 K5W 0.8660
861 B53 0.8660
862 260 0.8659
863 J9T 0.8658
864 LCN 0.8657
865 GOJ 0.8657
866 173 0.8657
867 TC7 0.8654
868 AZG 0.8654
869 4XS 0.8654
870 OTR 0.8650
871 A7W 0.8650
872 LYL 0.8649
873 QSH 0.8645
874 KTA 0.8644
875 FCA 0.8643
876 TB6 0.8642
877 BCP 0.8642
878 IFP 0.8639
879 DIN 0.8638
880 EUG 0.8638
881 SR1 0.8636
882 ANN 0.8636
883 M1E 0.8636
884 8K2 0.8635
885 RMN 0.8634
886 URC 0.8634
887 SNE 0.8632
888 CWS 0.8632
889 HV2 0.8631
890 3MB 0.8631
891 3FH 0.8629
892 GXL 0.8627
893 4NM 0.8624
894 XLS 0.8623
895 QMP 0.8622
896 DE5 0.8618
897 NMG 0.8618
898 PBA 0.8612
899 8WT 0.8609
900 OVP 0.8604
901 3V4 0.8604
902 MRW 0.8602
903 5JQ 0.8602
904 FOT 0.8600
905 3AL 0.8600
906 X0V 0.8598
907 XAZ 0.8596
908 BTY 0.8596
909 PNZ 0.8596
910 2PG 0.8592
911 BDP 0.8591
912 EKZ 0.8590
913 GLN 0.8583
914 ZXD 0.8583
915 4FH 0.8582
916 X6X 0.8582
917 0P6 0.8579
918 AL0 0.8578
919 LRH 0.8575
920 HSO 0.8574
921 KUF 0.8569
922 7W1 0.8562
923 75K 0.8562
924 259 0.8559
925 QBK 0.8557
926 HJP 0.8557
927 B55 0.8555
928 45L 0.8554
929 SN4 0.8547
930 0HO 0.8544
931 5QX 0.8541
932 CMS 0.8536
933 8WO 0.8533
934 UNC 0.8533
935 A13 0.8532
936 3HR 0.8530
937 SEP 0.8530
938 4SX 0.8519
939 IJZ 0.8518
940 C2U 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3I9L; Ligand: N1C; 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: 3i9l.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback