Receptor
PDB id Resolution Class Description Source Keywords
3FHB 2.3 Å EC: 2.4.2.30 HUMAN POLY(ADP-RIBOSE) POLYMERASE 3, CATALYTIC FRAGMENT IN C WITH AN INHIBITOR 3-AMINOBENZOIC ACID HOMO SAPIENS TRANSFERASE ENZYME-INHIBITOR COMPLEX CATALYTIC FRAGMENT SGENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC ALTERNATIVE GLYCOSYLTRANSFERASE NAD NUCLEUS
Ref.: STRUCTURAL BASIS FOR INHIBITOR SPECIFICITY IN HUMAN POLY(ADP-RIBOSE) POLYMERASE-3. J.MED.CHEM. V. 52 3108 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAB A:601;
 Valid;
 none;
 Kd > 2 uM
137.136 C7 H7 N O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GV4 1.8 Å EC: 2.4.2.30 HUMAN ARTD3 (PARP3) - CATALYTIC DOMAIN IN COMPLEX WITH INHIB ME0328 HOMO SAPIENS NAD ADP-RIBOSE PARP3 ARTD3 ARTD TRANSFERASE DOMAIN ADP-RIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX TRANSFERASE ADP-RIBOSYLATION
Ref.: PARP INHIBITOR WITH SELECTIVITY TOWARD ADP-RIBOSYLTRANSFERASE ARTD3/PARP3 ACS CHEM.BIOL. V. 8 1698 2013
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3C4H Kd = 2 uM DRL C8 H10 N2 O S CC1=NC2=C(....
2 4L7P - M95 C20 H19 N3 O3 c1ccc(cc1)....
3 4L7L - 1VA C20 H21 N3 O3 c1ccc(cc1)....
4 4L7N - 1VB C19 H20 N4 O4 S C[C@@H](c1....
5 4L7R - M00 C15 H19 N3 O3 CC[C@@H](C....
6 4L6Z - 1DC C18 H18 N4 O2 C[C@@H](c1....
7 3FHB Kd > 2 uM GAB C7 H7 N O2 c1cc(cc(c1....
8 4L70 - 1V9 C20 H21 N3 O2 CC[C@@H](c....
9 4GV4 ic50 = 0.89 uM MEJ C19 H19 N3 O2 C[C@@H](c1....
10 4GV0 ic50 = 1.3 uM 8ME C18 H18 N4 O2 C[C@@H](c1....
11 4L7O - 1VD C22 H21 N5 O2 C[C@@H](c1....
12 4GV2 - 5ME C18 H18 N4 O2 C[C@H](c1c....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3C4H Kd = 2 uM DRL C8 H10 N2 O S CC1=NC2=C(....
2 4L7P - M95 C20 H19 N3 O3 c1ccc(cc1)....
3 4L7L - 1VA C20 H21 N3 O3 c1ccc(cc1)....
4 4L7N - 1VB C19 H20 N4 O4 S C[C@@H](c1....
5 4L7R - M00 C15 H19 N3 O3 CC[C@@H](C....
6 4L6Z - 1DC C18 H18 N4 O2 C[C@@H](c1....
7 3FHB Kd > 2 uM GAB C7 H7 N O2 c1cc(cc(c1....
8 4L70 - 1V9 C20 H21 N3 O2 CC[C@@H](c....
9 4GV4 ic50 = 0.89 uM MEJ C19 H19 N3 O2 C[C@@H](c1....
10 4GV0 ic50 = 1.3 uM 8ME C18 H18 N4 O2 C[C@@H](c1....
11 4L7O - 1VD C22 H21 N5 O2 C[C@@H](c1....
12 4GV2 - 5ME C18 H18 N4 O2 C[C@H](c1c....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5XSU Kd = 180 nM 8E3 C15 H13 F N4 O2 c1c(cc2c(c....
2 4R6E ic50 = 132 nM 3JD C19 H20 N4 O c1cc2cn(nc....
3 4ZZZ Kd = 0.087 uM FSU C13 H16 N2 O3 COCCCN1Cc2....
4 5XSR Kd = 0.000000064 M 8EC C15 H13 F N4 O S c1c(cc2c(c....
5 6VKK - RPB C19 H18 F N3 O CNCc1ccc(c....
6 3GJW Ki = 0.005 uM GJW C16 H17 N3 O c1cc2n(c1)....
7 4L6S Kd = 0.003 uM 1WQ C21 H21 Cl N2 O2 C[C@H]1C(=....
8 4HHY ic50 = 1.92 nM 15R C33 H30 F N5 O4 c1ccc2c(c1....
9 4UND - 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
10 5XST ic50 = 27 nM 8E6 C15 H13 F N4 O S c1c(cc2c(c....
11 3L3L Ki = 33 nM L3L C14 H17 N3 O2 c1cc2c(c(c....
12 4PJT ic50 = 0.57 nM 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
13 3L3M Ki = 0.006 uM A92 C19 H19 F N4 O c1cc(c2c(c....
14 6XVW - O3H C19 H21 N5 O S c1ccc2c(c1....
15 4TVJ ic50 = 251 nM 09L C24 H23 F N4 O3 c1ccc2c(c1....
16 4ZZY Kd = 1.389 uM D7N C20 H24 F3 N3 O2 c1c(cc(c2c....
17 4PJV - 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
18 3KCZ - 3AB C7 H8 N2 O c1cc(cc(c1....
19 3KJD Kd = 2.9 nM 78P C13 H16 N4 O C[C@@]1(CC....
20 4ZZX Kd = 0.125 uM FSU C13 H16 N2 O3 COCCCN1Cc2....
21 3C4H Kd = 2 uM DRL C8 H10 N2 O S CC1=NC2=C(....
22 4L7P - M95 C20 H19 N3 O3 c1ccc(cc1)....
23 4L7L - 1VA C20 H21 N3 O3 c1ccc(cc1)....
24 4L7N - 1VB C19 H20 N4 O4 S C[C@@H](c1....
25 4L7R - M00 C15 H19 N3 O3 CC[C@@H](C....
26 4L6Z - 1DC C18 H18 N4 O2 C[C@@H](c1....
27 3FHB Kd > 2 uM GAB C7 H7 N O2 c1cc(cc(c1....
28 4L70 - 1V9 C20 H21 N3 O2 CC[C@@H](c....
29 4GV4 ic50 = 0.89 uM MEJ C19 H19 N3 O2 C[C@@H](c1....
30 4GV0 ic50 = 1.3 uM 8ME C18 H18 N4 O2 C[C@@H](c1....
31 4L7O - 1VD C22 H21 N5 O2 C[C@@H](c1....
32 4GV2 - 5ME C18 H18 N4 O2 C[C@H](c1c....
33 6NRG ic50 = 56 nM KYY C17 H12 F N5 O3 c1cc2c(c(o....
34 6NRJ ic50 = 36 nM KYJ C26 H20 N4 O4 c1ccc2c(c1....
35 6NRI ic50 = 27 nM KYM C25 H21 N5 O4 c1cc2c(c(c....
36 6NTU - GLC FRU n/a n/a
37 6NRF ic50 = 18 nM KYV C28 H25 N5 O4 c1ccc2c(c1....
38 6NRH ic50 = 55 nM KYP C25 H23 N5 O4 c1cc2c(c(o....
39 6BHV Kd = 5.87 uM DQV C22 H28 N6 O14 P2 c1cc(cc(c1....
40 2PAX ic50 = 0.18 uM 4AN C12 H8 N2 O2 c1cc2c(ccc....
41 3PAX ic50 = 10 uM 3MB C8 H9 N O2 COc1cccc(c....
42 1EFY Ki = 6 nM BZC C15 H13 N3 O2 COc1cccc(c....
43 1PAX - DHQ C10 H11 N O Cc1cccc2c1....
44 6I8T - H7Z C21 H29 N3 O2 C[C@@H]1c2....
45 6I8M - H7W C21 H29 N3 O2 C[C@H]1c2c....
46 1A26 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAB; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GAB 1 1
2 3AB 0.6 0.652174
3 VBC 0.5 0.863636
4 OW4 0.459459 0.857143
5 12T 0.444444 0.730769
6 PAB 0.4375 1
7 4A3 0.405405 0.703704
Similar Ligands (3D)
Ligand no: 1; Ligand: GAB; Similar ligands found: 1414
No: Ligand Similarity coefficient
1 3NT 1.0000
2 3HB 1.0000
3 53C 1.0000
4 5HN 1.0000
5 4CS 1.0000
6 NMJ 1.0000
7 OVV 1.0000
8 WCE 1.0000
9 8GC 1.0000
10 3BZ 0.9983
11 3OC 0.9982
12 BRT 0.9951
13 1P3 0.9807
14 4NC 0.9799
15 DHB 0.9791
16 P9P 0.9770
17 6PC 0.9767
18 XX2 0.9764
19 HHA 0.9763
20 YCP 0.9761
21 GTQ 0.9750
22 BEZ 0.9741
23 BEN 0.9740
24 OVM 0.9733
25 NIO 0.9732
26 MYJ 0.9731
27 2HO 0.9725
28 INO 0.9725
29 FHB 0.9719
30 93K 0.9718
31 3MB 0.9717
32 GYE 0.9717
33 NNO 0.9714
34 DOR 0.9710
35 9TW 0.9710
36 UNU 0.9709
37 3HM 0.9704
38 6CS 0.9704
39 DBH 0.9702
40 NCA 0.9702
41 PBC 0.9701
42 5RG 0.9701
43 J9T 0.9700
44 JLZ 0.9700
45 AW5 0.9699
46 ORO 0.9699
47 VGL 0.9699
48 JBK 0.9696
49 FE DB1 0.9696
50 CHB 0.9696
51 54G 0.9695
52 3HA 0.9693
53 3F0 0.9693
54 5M0 0.9691
55 3M0 0.9689
56 PZA 0.9689
57 BAM 0.9688
58 BNS 0.9685
59 9TZ 0.9685
60 MLT 0.9683
61 OXC 0.9679
62 BE7 0.9678
63 069 0.9678
64 45L 0.9674
65 QSB 0.9671
66 QSC 0.9669
67 6M4 0.9667
68 OAA 0.9666
69 JZ7 0.9665
70 2AL 0.9662
71 51R 0.9660
72 FBW 0.9647
73 7MU 0.9647
74 SAL 0.9642
75 AC0 0.9641
76 5MK 0.9640
77 NBZ 0.9639
78 34D 0.9637
79 OVP 0.9631
80 SS1 0.9627
81 NTN 0.9626
82 6M9 0.9621
83 BE2 0.9621
84 IHB 0.9609
85 D1X 0.9607
86 XCZ 0.9600
87 PZI 0.9595
88 3DO 0.9594
89 SJ5 0.9584
90 1P7 0.9584
91 M58 0.9583
92 IT2 0.9581
93 F60 0.9581
94 R8S 0.9581
95 SX1 0.9573
96 14O 0.9573
97 4SV 0.9572
98 5H1 0.9569
99 2K4 0.9569
100 LMR 0.9569
101 M1E 0.9568
102 F05 0.9568
103 5OB 0.9568
104 ASC 0.9567
105 14J 0.9566
106 6AI 0.9565
107 3ID 0.9565
108 AHR 0.9564
109 5MB 0.9562
110 GUN 0.9555
111 DHK 0.9554
112 5MI 0.9553
113 ES6 0.9552
114 BZX 0.9551
115 1LQ 0.9545
116 DYA 0.9544
117 RSO 0.9543
118 N5J 0.9542
119 0RW 0.9542
120 HLR 0.9541
121 IFM 0.9538
122 4XR 0.9538
123 TIU 0.9538
124 RM1 0.9537
125 VNL 0.9537
126 1SQ 0.9537
127 PCA 0.9537
128 9EW 0.9534
129 3U4 0.9532
130 23A 0.9530
131 GZL 0.9529
132 DMD 0.9529
133 JAE 0.9528
134 5SG 0.9528
135 FQI 0.9525
136 HPA 0.9523
137 SKM 0.9523
138 5IQ 0.9520
139 CFI 0.9518
140 COU 0.9516
141 JBH 0.9514
142 O72 0.9514
143 AMC 0.9514
144 7WV 0.9514
145 1NP 0.9513
146 LT2 0.9512
147 UGC 0.9511
148 JPZ 0.9510
149 SVN 0.9508
150 1LM 0.9506
151 AGK 0.9503
152 ES9 0.9502
153 2CK 0.9501
154 NIZ 0.9501
155 BHO 0.9500
156 ES1 0.9500
157 7WG 0.9498
158 PHU 0.9495
159 KOJ 0.9493
160 11S 0.9493
161 5Q0 0.9491
162 HY1 0.9491
163 H42 0.9490
164 4YS 0.9488
165 F9P 0.9484
166 2AQ 0.9483
167 1WD 0.9482
168 XAN 0.9479
169 2A7 0.9478
170 ADE 0.9476
171 ZXD 0.9475
172 JKE 0.9475
173 BZ3 0.9474
174 I3A 0.9474
175 FOT 0.9472
176 FAN 0.9471
177 F31 0.9470
178 9DG 0.9467
179 GIF 0.9467
180 DHS 0.9466
181 HQY 0.9466
182 1DW 0.9464
183 FEH 0.9463
184 ADZ 0.9463
185 XQ0 0.9462
186 OXZ 0.9460
187 AZA 0.9459
188 5B1 0.9459
189 JB5 0.9459
190 4JT 0.9457
191 141 0.9457
192 EA1 0.9457
193 2RH 0.9456
194 XYL 0.9455
195 3AL 0.9455
196 UNC 0.9454
197 JFJ 0.9454
198 SRT 0.9453
199 FBM 0.9452
200 OCH 0.9452
201 ISZ 0.9452
202 24W 0.9452
203 DBJ 0.9450
204 H4N 0.9449
205 CN0 0.9449
206 03V 0.9448
207 7HP 0.9448
208 PDC 0.9448
209 GDE 0.9447
210 M4T 0.9447
211 7B4 0.9447
212 6AP 0.9446
213 42C 0.9443
214 Q6T 0.9442
215 4XH 0.9442
216 M0W 0.9439
217 PHB 0.9438
218 2LP 0.9438
219 4FS 0.9437
220 5RN 0.9437
221 AZG 0.9437
222 J9W 0.9436
223 FK1 0.9433
224 M1H 0.9433
225 HH8 0.9433
226 HSO 0.9431
227 7NI 0.9430
228 LNR 0.9429
229 6NT 0.9429
230 ES5 0.9428
231 IGA 0.9427
232 AL0 0.9425
233 HIS 0.9425
234 SHA 0.9423
235 5XC 0.9422
236 CWM 0.9420
237 MXN 0.9420
238 10L 0.9417
239 YH7 0.9416
240 ES0 0.9415
241 8NY 0.9415
242 QUZ 0.9415
243 HLZ 0.9414
244 RB5 0.9414
245 THE 0.9414
246 S76 0.9413
247 HQJ 0.9411
248 SVD 0.9410
249 L99 0.9408
250 Q88 0.9408
251 AX7 0.9407
252 RSF 0.9407
253 A2F 0.9406
254 TPA 0.9406
255 IJZ 0.9404
256 7VS 0.9404
257 X0V 0.9403
258 ES2 0.9403
259 GAG 0.9402
260 9DA 0.9402
261 NPO 0.9402
262 NPY 0.9400
263 42A 0.9400
264 KBB 0.9399
265 MRZ 0.9398
266 AZ8 0.9398
267 9HX 0.9397
268 OK7 0.9396
269 VGD 0.9395
270 COI 0.9394
271 VNJ 0.9393
272 9MG 0.9393
273 KKN 0.9393
274 4HM 0.9391
275 ET2 0.9391
276 6GU 0.9390
277 1Y6 0.9390
278 270 0.9390
279 HBD 0.9389
280 4FH 0.9387
281 IFP 0.9387
282 QWN 0.9386
283 2DR 0.9386
284 ISN 0.9385
285 TH7 0.9383
286 LZM 0.9383
287 Q24 0.9383
288 ASO 0.9382
289 CFP 0.9381
290 3PF 0.9380
291 5NU 0.9379
292 XM0 0.9377
293 M0Q 0.9375
294 FGZ 0.9375
295 7HQ 0.9373
296 GLC 0.9373
297 0HO 0.9371
298 7N0 0.9370
299 PRO 0.9370
300 LZ1 0.9369
301 HIO 0.9368
302 KUF 0.9368
303 CLW 0.9368
304 6MP 0.9368
305 A13 0.9367
306 M1Q 0.9367
307 AKH 0.9367
308 CXF 0.9367
309 0HN 0.9367
310 C2A 0.9366
311 GBD 0.9366
312 5WV 0.9366
313 1P8 0.9365
314 DBX 0.9364
315 2HU 0.9364
316 PE0 0.9363
317 DEN 0.9362
318 ABV 0.9362
319 1PT 0.9362
320 DX4 0.9361
321 BGC 0.9361
322 7WA 0.9360
323 BZI 0.9360
324 3SK 0.9360
325 EYK 0.9358
326 AQO 0.9358
327 NOJ 0.9357
328 60P 0.9355
329 M5K 0.9355
330 ES7 0.9354
331 36R 0.9354
332 MR1 0.9354
333 1XM 0.9352
334 FYU 0.9352
335 2HQ 0.9352
336 FB2 0.9352
337 2MI 0.9352
338 EKZ 0.9351
339 4MA 0.9351
340 BTE 0.9350
341 5CU 0.9348
342 QSH 0.9348
343 HMU 0.9348
344 BZF 0.9348
345 FBB 0.9348
346 HBX 0.9348
347 BP1 0.9346
348 290 0.9346
349 ZZ3 0.9345
350 2ZM 0.9345
351 I1E 0.9345
352 MNN 0.9345
353 MEW 0.9345
354 3NY 0.9344
355 IND 0.9343
356 5AC 0.9342
357 826 0.9342
358 4HC 0.9341
359 MO8 0.9341
360 QXW 0.9341
361 HY3 0.9341
362 URC 0.9340
363 4P5 0.9340
364 AC6 0.9339
365 ICO 0.9338
366 PM6 0.9338
367 G3E 0.9338
368 R8V 0.9337
369 5QY 0.9337
370 P3K 0.9336
371 4WL 0.9336
372 5NI 0.9336
373 SW7 0.9333
374 1DJ 0.9333
375 1XN 0.9333
376 TEO 0.9333
377 3FH 0.9331
378 RIB 0.9331
379 FP1 0.9331
380 BHA 0.9329
381 AJ2 0.9329
382 II6 0.9328
383 FA0 0.9328
384 3Z7 0.9328
385 C2U 0.9328
386 PYF 0.9327
387 282 0.9327
388 0R1 0.9326
389 ABI 0.9326
390 ABN 0.9325
391 JA8 0.9323
392 JBE 0.9323
393 TP5 0.9322
394 HJP 0.9321
395 C21 0.9321
396 FPI 0.9321
397 0W8 0.9320
398 4AA 0.9320
399 MUA 0.9319
400 K2T 0.9319
401 G2F 0.9319
402 A29 0.9319
403 PAC 0.9319
404 4ZC 0.9319
405 K5W 0.9318
406 DIN 0.9318
407 Z82 0.9318
408 1F1 0.9318
409 L5V 0.9317
410 ASP 0.9317
411 OXQ 0.9316
412 SYN 0.9315
413 6TZ 0.9315
414 5JQ 0.9314
415 4ZA 0.9314
416 DOB 0.9313
417 GLU 0.9313
418 BOA 0.9311
419 PBZ 0.9310
420 PD2 0.9309
421 MPI 0.9309
422 HMH 0.9309
423 DIE 0.9305
424 LCN 0.9304
425 3A9 0.9304
426 3IT 0.9304
427 4M4 0.9303
428 EUG 0.9303
429 M1A 0.9302
430 P92 0.9302
431 E7Z 0.9301
432 GLY GLY 0.9300
433 M2K 0.9300
434 XUL 0.9299
435 A7W 0.9299
436 3XX 0.9298
437 FBU 0.9296
438 1DV 0.9295
439 4Z4 0.9294
440 BCP 0.9292
441 IDM 0.9292
442 261 0.9291
443 JAW 0.9290
444 SS2 0.9290
445 QBK 0.9289
446 NBE 0.9288
447 GVH 0.9287
448 5GU 0.9286
449 F81 0.9285
450 4SX 0.9285
451 G4D 0.9284
452 GJZ 0.9284
453 7W4 0.9283
454 92K 0.9283
455 Z6J 0.9282
456 BTY 0.9282
457 174 0.9281
458 L3Q 0.9281
459 6NI 0.9280
460 SMV 0.9280
461 PRS 0.9279
462 PMB 0.9278
463 0CU 0.9278
464 SE2 0.9278
465 173 0.9278
466 3R6 0.9277
467 NOY 0.9276
468 MZW 0.9276
469 V55 0.9275
470 J5I 0.9275
471 HX3 0.9272
472 MRW 0.9271
473 PEA 0.9271
474 PYC 0.9270
475 150 0.9269
476 FBV 0.9268
477 BDP 0.9268
478 4M0 0.9267
479 D48 0.9267
480 EDR 0.9266
481 2CQ 0.9266
482 86J 0.9265
483 0CT 0.9264
484 DRL 0.9263
485 F0J 0.9262
486 265 0.9262
487 3Z8 0.9260
488 0P6 0.9260
489 BCU 0.9260
490 75K 0.9260
491 MCT 0.9259
492 ES4 0.9259
493 B55 0.9258
494 TZE 0.9258
495 DIU 0.9257
496 DE5 0.9256
497 PRZ 0.9256
498 SPA 0.9256
499 G5V 0.9255
500 24B 0.9255
501 ADA 0.9253
502 2F6 0.9253
503 MUC 0.9252
504 F12 0.9252
505 6LW 0.9251
506 PY7 0.9251
507 32X 0.9250
508 9CL 0.9249
509 HH5 0.9249
510 1MR 0.9248
511 0R0 0.9247
512 JZ5 0.9246
513 DFB 0.9246
514 QY9 0.9245
515 XQG 0.9245
516 3DM 0.9245
517 KBG 0.9245
518 8G0 0.9243
519 8TX 0.9243
520 FA1 0.9242
521 FB1 0.9241
522 2PC 0.9240
523 XAZ 0.9240
524 HYP 0.9239
525 M2H 0.9239
526 FOA 0.9239
527 XYP 0.9235
528 OGA 0.9235
529 MWP 0.9234
530 5VM 0.9234
531 8CM 0.9234
532 0F9 0.9233
533 ASN 0.9232
534 8WO 0.9232
535 MJ2 0.9231
536 DA4 0.9231
537 NK 0.9231
538 67N 0.9230
539 MNM 0.9229
540 JBN 0.9228
541 GUA 0.9228
542 RNS 0.9225
543 1WG 0.9224
544 GTR 0.9224
545 TZC 0.9224
546 JZ9 0.9223
547 AZF 0.9223
548 CWS 0.9223
549 KT7 0.9220
550 OW7 0.9219
551 IFL 0.9219
552 LDU 0.9219
553 2AC 0.9218
554 LDP 0.9218
555 URF 0.9217
556 TTL 0.9217
557 NDH 0.9216
558 R20 0.9216
559 URQ 0.9215
560 PKU 0.9215
561 XX3 0.9215
562 KJU 0.9212
563 N2Z 0.9212
564 DMJ 0.9210
565 G3F 0.9210
566 DHQ 0.9210
567 LYL 0.9209
568 DGJ 0.9209
569 98J 0.9208
570 8ZE 0.9206
571 284 0.9205
572 XBT 0.9205
573 54D 0.9204
574 XBZ 0.9204
575 6RQ 0.9204
576 OMD 0.9203
577 XLS 0.9203
578 K34 0.9203
579 52C 0.9201
580 4ME 0.9200
581 TZL 0.9199
582 ZBT 0.9199
583 5JL 0.9199
584 AZ9 0.9199
585 HBA 0.9198
586 3HP 0.9197
587 3SL 0.9196
588 JB8 0.9196
589 JDN 0.9196
590 MRY 0.9194
591 TH0 0.9194
592 CRS 0.9191
593 4VP 0.9190
594 E5X 0.9190
595 OHG 0.9189
596 25W 0.9189
597 273 0.9188
598 FUD 0.9187
599 MWM 0.9187
600 2D0 0.9186
601 HT4 0.9185
602 717 0.9184
603 4ZE 0.9184
604 XYD 0.9183
605 DTL 0.9183
606 8IG 0.9179
607 GAL 0.9178
608 AHB 0.9178
609 TYL 0.9178
610 1DU 0.9178
611 H76 0.9177
612 7W1 0.9177
613 B62 0.9175
614 GCS 0.9175
615 DNF 0.9174
616 4P0 0.9174
617 12Q 0.9173
618 IF7 0.9171
619 RMN 0.9170
620 ONR 0.9169
621 2YU 0.9169
622 2FG 0.9168
623 JZ3 0.9168
624 F4Z 0.9168
625 0N7 0.9167
626 2TQ 0.9166
627 LGC 0.9165
628 ZZT 0.9165
629 PIY 0.9163
630 AJV 0.9163
631 TM7 0.9163
632 463 0.9162
633 AKG 0.9161
634 N2I 0.9159
635 SNE 0.9159
636 92P 0.9158
637 C2Y 0.9158
638 O2A 0.9156
639 FDB 0.9155
640 6OT 0.9152
641 SMN 0.9152
642 268 0.9152
643 BSX 0.9151
644 WBU 0.9151
645 TDR 0.9151
646 G6D 0.9151
647 4CL 0.9150
648 SD4 0.9149
649 293 0.9149
650 GV9 0.9149
651 TC7 0.9149
652 4NG 0.9148
653 2EC 0.9148
654 PEL 0.9148
655 MAN 0.9148
656 QMP 0.9148
657 HGQ 0.9148
658 B3R 0.9147
659 SWA 0.9147
660 2PG 0.9147
661 XSP 0.9147
662 X09 0.9147
663 CWJ 0.9146
664 B2J 0.9144
665 KTA 0.9144
666 M3T 0.9144
667 SR1 0.9143
668 1AL 0.9142
669 VXX 0.9142
670 4JP 0.9140
671 44V 0.9139
672 GCU 0.9139
673 RAT 0.9138
674 GRE 0.9138
675 TAR 0.9137
676 3CH 0.9137
677 TLA 0.9137
678 URA 0.9136
679 HEW 0.9135
680 QPR 0.9135
681 8S0 0.9135
682 PEP 0.9134
683 4XV 0.9134
684 QIC 0.9134
685 4JJ 0.9133
686 GRO 0.9133
687 0JD 0.9133
688 RCO 0.9133
689 4H2 0.9132
690 2AK 0.9131
691 XHP 0.9131
692 329 0.9130
693 CIG 0.9130
694 CTS 0.9130
695 PEQ 0.9127
696 0V5 0.9127
697 1SA 0.9126
698 KJY 0.9126
699 UY7 0.9125
700 HQD 0.9124
701 PIM 0.9124
702 8H8 0.9123
703 RAM 0.9122
704 4HO 0.9121
705 Z5P 0.9121
706 MZB 0.9120
707 CTL 0.9120
708 PYD 0.9119
709 ICP 0.9119
710 JAB 0.9119
711 GLA 0.9119
712 1MC 0.9117
713 BVF 0.9116
714 SEP 0.9115
715 URS 0.9113
716 EV0 0.9112
717 13P 0.9110
718 KJH 0.9110
719 JZ2 0.9109
720 6M1 0.9109
721 F9Y 0.9108
722 9RW 0.9107
723 2XX 0.9107
724 4XS 0.9106
725 495 0.9106
726 4JQ 0.9106
727 J9Q 0.9106
728 5QX 0.9105
729 6F0 0.9105
730 44W 0.9104
731 URP 0.9104
732 NSP 0.9103
733 7ME 0.9103
734 2LY 0.9102
735 2HG 0.9102
736 R2B 0.9101
737 QX2 0.9101
738 5JC 0.9101
739 MZG 0.9101
740 GIV 0.9100
741 R8A 0.9100
742 QWW 0.9100
743 HQT 0.9100
744 5UC 0.9100
745 4FA 0.9100
746 DS0 0.9099
747 LXC 0.9099
748 7WR 0.9098
749 0LH 0.9097
750 94W 0.9097
751 B24 0.9095
752 DHR 0.9095
753 R9S 0.9094
754 H7Y 0.9092
755 OTW 0.9092
756 3PG 0.9091
757 FBJ 0.9090
758 M6N 0.9090
759 8WT 0.9089
760 TT4 0.9089
761 ALL 0.9089
762 M3H 0.9088
763 45C 0.9088
764 RJY 0.9088
765 BR9 0.9087
766 82I 0.9087
767 EQT 0.9087
768 LG3 0.9087
769 0FO 0.9087
770 4MU 0.9086
771 D07 0.9086
772 263 0.9085
773 A1U 0.9085
774 FUM 0.9084
775 MEV 0.9083
776 OKG 0.9083
777 5XB 0.9082
778 26D 0.9082
779 LG5 0.9081
780 WOT 0.9080
781 SIN 0.9080
782 0TU 0.9079
783 8K2 0.9079
784 UFV 0.9078
785 X05 0.9078
786 M4E 0.9077
787 FCR 0.9076
788 GAF 0.9076
789 WOO 0.9075
790 HSE 0.9075
791 34A 0.9074
792 LSA 0.9074
793 G3H 0.9073
794 G3P 0.9073
795 SOE 0.9073
796 MQN 0.9072
797 GXY 0.9072
798 KYD 0.9070
799 GXL 0.9069
800 HDH 0.9069
801 MAQ 0.9069
802 3HG 0.9069
803 4YO 0.9067
804 G2H 0.9067
805 2MP 0.9066
806 2ZV 0.9066
807 ODO 0.9066
808 HQ9 0.9065
809 AS3 0.9065
810 HX2 0.9065
811 27Y 0.9063
812 3QM 0.9061
813 ANN 0.9060
814 15N 0.9059
815 6ME 0.9058
816 SOR 0.9058
817 5MH 0.9058
818 HZQ 0.9057
819 2A9 0.9056
820 XIY 0.9056
821 DQU 0.9056
822 S2G 0.9056
823 APY 0.9055
824 BMA 0.9053
825 IDH 0.9052
826 40E 0.9052
827 9R5 0.9052
828 1M2 0.9052
829 PXL 0.9052
830 286 0.9051
831 23W 0.9051
832 CYT 0.9049
833 HA5 0.9049
834 258 0.9048
835 PYJ 0.9047
836 B60 0.9047
837 15L 0.9046
838 MVN 0.9046
839 HHQ 0.9045
840 BZ2 0.9044
841 8OZ 0.9044
842 GCB 0.9043
843 5WY 0.9043
844 RNT 0.9042
845 69O 0.9040
846 2BG 0.9040
847 MWJ 0.9040
848 97T 0.9039
849 PAF 0.9038
850 HSM 0.9037
851 0TR 0.9037
852 47J 0.9037
853 7ZE 0.9032
854 8GF 0.9032
855 XRG 0.9031
856 SKA 0.9031
857 ICF 0.9028
858 TSU 0.9028
859 6VD 0.9028
860 X6X 0.9027
861 PA1 0.9027
862 RHU 0.9025
863 43M 0.9023
864 ORN 0.9022
865 GVG 0.9022
866 FPY 0.9021
867 FRU 0.9021
868 AX3 0.9021
869 6JN 0.9019
870 INE 0.9019
871 BDF 0.9019
872 PPR 0.9015
873 PQK 0.9015
874 PNZ 0.9015
875 R67 0.9014
876 NID 0.9014
877 AEF 0.9014
878 B53 0.9013
879 2IT 0.9013
880 GGL 0.9013
881 AOS 0.9012
882 F5B 0.9012
883 QX4 0.9012
884 SYV 0.9010
885 5RO 0.9010
886 5WX 0.9009
887 TWO 0.9008
888 7CZ 0.9008
889 AH8 0.9007
890 TSS 0.9007
891 39A 0.9007
892 2ZQ 0.9007
893 UAN 0.9007
894 PYG 0.9006
895 12M 0.9006
896 SAN 0.9003
897 OHP 0.9002
898 GIO 0.9002
899 M6W 0.9001
900 N3W 0.9001
901 TAG 0.9000
902 4JM 0.8999
903 4TU 0.8999
904 4NM 0.8999
905 J1Z 0.8998
906 KDV 0.8998
907 XXG 0.8997
908 9X7 0.8996
909 XYS 0.8996
910 LER 0.8996
911 MT0 0.8995
912 3BU 0.8994
913 NXA 0.8993
914 CH9 0.8992
915 HC4 0.8990
916 E35 0.8989
917 PQ0 0.8989
918 ICB 0.8989
919 271 0.8988
920 B85 0.8988
921 51F 0.8987
922 9FL 0.8987
923 JXN 0.8986
924 DAS 0.8986
925 42J 0.8986
926 ONL 0.8986
927 MBG 0.8986
928 EOL 0.8985
929 MS9 0.8983
930 IV2 0.8982
931 RIP 0.8982
932 DFU 0.8980
933 DUC 0.8979
934 GLY PRO 0.8978
935 PBE 0.8977
936 AAS 0.8977
937 LEU 0.8977
938 FBS 0.8976
939 FA3 0.8976
940 4AV 0.8975
941 RBL 0.8975
942 2FY 0.8974
943 1GN 0.8973
944 2EH 0.8973
945 TGX 0.8970
946 OTD 0.8970
947 Y8I 0.8969
948 1GP 0.8969
949 280 0.8969
950 EVA 0.8968
951 BP9 0.8967
952 DGL 0.8967
953 IPB 0.8966
954 P72 0.8966
955 OTR 0.8965
956 HPS 0.8965
957 GZ3 0.8964
958 JZ1 0.8963
959 XXR 0.8963
960 BK9 0.8962
961 IP0 0.8962
962 A09 0.8961
963 4SD 0.8960
964 GP9 0.8959
965 6MH 0.8959
966 TFB 0.8959
967 2H5 0.8959
968 J9N 0.8958
969 IHG 0.8957
970 JZ4 0.8956
971 NYL 0.8956
972 FUC 0.8956
973 M45 0.8956
974 7MH 0.8955
975 23J 0.8955
976 PBA 0.8954
977 N7P 0.8953
978 EXO 0.8953
979 275 0.8948
980 SF9 0.8947
981 9ON 0.8947
982 HCS 0.8946
983 BEA 0.8946
984 PRY 0.8945
985 SPV 0.8945
986 AX2 0.8941
987 HPY 0.8941
988 GOO 0.8941
989 TM4 0.8940
990 ARB 0.8940
991 HLD 0.8937
992 4J8 0.8937
993 2ZX 0.8936
994 0MK 0.8936
995 13X 0.8935
996 DUB 0.8935
997 FCA 0.8934
998 CEE 0.8933
999 FUL 0.8932
1000 PYQ 0.8932
1001 GLN 0.8932
1002 H8N 0.8931
1003 149 0.8930
1004 4JL 0.8930
1005 MSN 0.8930
1006 E1T 0.8930
1007 APZ 0.8930
1008 N8P 0.8929
1009 AMH 0.8929
1010 6UA 0.8928
1011 AEH 0.8925
1012 PGH 0.8925
1013 KIV 0.8925
1014 LRH 0.8924
1015 N8Y 0.8924
1016 1IT 0.8924
1017 DIG 0.8924
1018 HXX 0.8924
1019 9CA 0.8923
1020 MAE 0.8923
1021 2MY 0.8922
1022 LKA 0.8921
1023 2HC 0.8919
1024 TTY 0.8918
1025 64K 0.8918
1026 TLD 0.8915
1027 H3M 0.8915
1028 PRF 0.8914
1029 SYA 0.8914
1030 IUR 0.8913
1031 WDL 0.8912
1032 MPV 0.8912
1033 ZWZ 0.8911
1034 3CE 0.8911
1035 TRC 0.8910
1036 TRA 0.8909
1037 1DQ 0.8907
1038 M1Z 0.8907
1039 FW5 0.8907
1040 T6C 0.8907
1041 APG 0.8907
1042 NLE 0.8906
1043 4JO 0.8906
1044 3AY 0.8905
1045 LLQ 0.8905
1046 TOF 0.8904
1047 3WA 0.8904
1048 YIO 0.8903
1049 6FZ 0.8902
1050 15E 0.8902
1051 2AS 0.8902
1052 1LN 0.8901
1053 AMS 0.8901
1054 0GZ 0.8901
1055 264 0.8901
1056 MSR 0.8901
1057 SRO 0.8899
1058 FBT 0.8899
1059 2CM 0.8899
1060 RD4 0.8898
1061 MBD 0.8897
1062 SHG 0.8896
1063 B57 0.8894
1064 TEP 0.8893
1065 PAH 0.8892
1066 IPZ 0.8892
1067 9FE 0.8891
1068 BVC 0.8891
1069 0W1 0.8891
1070 KMH 0.8890
1071 285 0.8890
1072 YRL 0.8889
1073 VOH 0.8888
1074 DGN 0.8888
1075 NVU 0.8887
1076 T9G 0.8887
1077 JND 0.8886
1078 FPK 0.8885
1079 DHY 0.8885
1080 JBQ 0.8884
1081 NQ 0.8884
1082 NCD 0.8883
1083 KDF 0.8881
1084 ABE 0.8879
1085 BR8 0.8878
1086 Q71 0.8878
1087 CRN 0.8877
1088 8EW 0.8876
1089 5AN 0.8876
1090 FBA 0.8874
1091 I2M 0.8873
1092 ESX 0.8873
1093 JIF 0.8872
1094 9YL 0.8872
1095 MAK 0.8871
1096 46P 0.8871
1097 2C9 0.8870
1098 XDE 0.8870
1099 3MG 0.8869
1100 RXA 0.8866
1101 ERH 0.8865
1102 RPQ 0.8865
1103 VK3 0.8865
1104 DEW 0.8864
1105 FUF 0.8863
1106 GMN 0.8862
1107 4V2 0.8862
1108 FH2 0.8859
1109 2FQ 0.8856
1110 PO6 0.8853
1111 3FA 0.8853
1112 F4E 0.8851
1113 PHE 0.8850
1114 GOJ 0.8850
1115 PFL 0.8847
1116 5ZE 0.8846
1117 QOS 0.8846
1118 BNF 0.8845
1119 I4B 0.8844
1120 PEZ 0.8843
1121 94N 0.8843
1122 FDK 0.8840
1123 DNC 0.8839
1124 3MC 0.8838
1125 4VY 0.8837
1126 MAJ 0.8837
1127 N4B 0.8836
1128 FLM 0.8836
1129 ITN 0.8835
1130 BPN 0.8835
1131 FFP 0.8834
1132 3MH 0.8833
1133 091 0.8830
1134 C2B 0.8830
1135 8XL 0.8830
1136 KIB 0.8828
1137 TSR 0.8827
1138 3MA 0.8826
1139 ADK 0.8826
1140 DQA 0.8826
1141 TCZ 0.8825
1142 QUS 0.8825
1143 CPZ 0.8825
1144 3ZQ 0.8825
1145 C9E 0.8823
1146 RUU 0.8822
1147 152 0.8822
1148 SC2 0.8821
1149 CIZ 0.8821
1150 1A7 0.8820
1151 2FT 0.8817
1152 NCT 0.8815
1153 4JU 0.8814
1154 1WC 0.8814
1155 T2C 0.8813
1156 IOM 0.8807
1157 SIF 0.8807
1158 W81 0.8806
1159 R9Y 0.8806
1160 IAC 0.8806
1161 XDK 0.8805
1162 95Z 0.8801
1163 FLC 0.8801
1164 PEY 0.8801
1165 NDM 0.8799
1166 JTH 0.8799
1167 259 0.8798
1168 DZX 0.8798
1169 SHV 0.8798
1170 ZGL 0.8796
1171 ZZ8 0.8795
1172 GLO 0.8795
1173 ARA 0.8793
1174 7UC 0.8793
1175 9ZE 0.8792
1176 PSE 0.8791
1177 M44 0.8791
1178 YSO 0.8790
1179 EN1 0.8790
1180 37T 0.8790
1181 SF6 0.8789
1182 JFD 0.8789
1183 HA7 0.8787
1184 PJW 0.8787
1185 TZF 0.8787
1186 HVQ 0.8786
1187 IWT 0.8785
1188 7VP 0.8785
1189 2MH 0.8785
1190 SXS 0.8785
1191 9TY 0.8784
1192 SNU 0.8781
1193 PLQ 0.8779
1194 PRA 0.8778
1195 Q7A 0.8777
1196 L22 0.8776
1197 EMZ 0.8773
1198 KFH 0.8772
1199 0OC 0.8771
1200 35C 0.8771
1201 XXP 0.8770
1202 O7U 0.8769
1203 J6W 0.8769
1204 KIA 0.8767
1205 CFF 0.8767
1206 H62 0.8766
1207 EGR 0.8766
1208 INS 0.8766
1209 4A5 0.8766
1210 UEG 0.8765
1211 RUY 0.8765
1212 AHN 0.8765
1213 278 0.8764
1214 N6C 0.8764
1215 CXP 0.8762
1216 DEE 0.8761
1217 12B 0.8760
1218 AY4 0.8760
1219 HDA 0.8759
1220 24T 0.8759
1221 JG8 0.8757
1222 CIT 0.8755
1223 4BZ 0.8755
1224 SWD 0.8754
1225 KVP 0.8753
1226 MET 0.8753
1227 1SH 0.8752
1228 428 0.8751
1229 4MV 0.8750
1230 Q02 0.8749
1231 H4E 0.8747
1232 MFB 0.8747
1233 KMT 0.8746
1234 5CL 0.8744
1235 JYD 0.8744
1236 6R8 0.8743
1237 ECE 0.8741
1238 FK8 0.8741
1239 40O 0.8741
1240 K97 0.8741
1241 TBP 0.8740
1242 HQE 0.8739
1243 PHT 0.8739
1244 ICC 0.8738
1245 AJY 0.8737
1246 NVI 0.8735
1247 5LA 0.8735
1248 JUG 0.8735
1249 39O 0.8734
1250 1KP 0.8730
1251 OXE 0.8725
1252 FPN 0.8724
1253 DA1 0.8724
1254 IZC 0.8723
1255 CMS 0.8722
1256 GLL 0.8720
1257 36Y 0.8719
1258 9KT 0.8719
1259 NTM 0.8719
1260 OSE 0.8718
1261 G1O 0.8718
1262 NEQ 0.8717
1263 PH3 0.8716
1264 LG4 0.8715
1265 BVG 0.8714
1266 KYA 0.8714
1267 MMA 0.8713
1268 SME 0.8713
1269 E60 0.8712
1270 DMG 0.8712
1271 MZ0 0.8712
1272 PGA 0.8711
1273 7B3 0.8709
1274 1U6 0.8709
1275 ACH 0.8708
1276 E7S 0.8708
1277 PCR 0.8707
1278 SYG 0.8707
1279 CLZ 0.8705
1280 PXY 0.8705
1281 2O6 0.8703
1282 PMF 0.8702
1283 HAI 0.8701
1284 0BP 0.8701
1285 DTU 0.8701
1286 ESI 0.8700
1287 209 0.8699
1288 MLI 0.8697
1289 SLS 0.8697
1290 6XI 0.8695
1291 3RK 0.8694
1292 GJS 0.8692
1293 LYS 0.8692
1294 VAL 0.8692
1295 9X6 0.8690
1296 K17 0.8687
1297 MLA 0.8686
1298 PXM 0.8685
1299 SN4 0.8685
1300 GM7 0.8684
1301 TBS 0.8682
1302 P4B 0.8681
1303 GF4 0.8680
1304 LI6 0.8679
1305 PFB 0.8676
1306 HHI 0.8676
1307 RBJ 0.8674
1308 YHO 0.8672
1309 25R 0.8669
1310 ISE 0.8669
1311 FCB 0.8665
1312 AIN 0.8663
1313 C5J 0.8662
1314 36E 0.8662
1315 1QP 0.8661
1316 20J 0.8660
1317 KLW 0.8659
1318 RM4 0.8658
1319 7VJ 0.8657
1320 PSV 0.8657
1321 CXL 0.8656
1322 6DP 0.8656
1323 L89 0.8656
1324 HCI 0.8654
1325 8NX 0.8652
1326 IQ0 0.8651
1327 I6G 0.8650
1328 ICT 0.8650
1329 P2D 0.8647
1330 GCO 0.8645
1331 CYH 0.8644
1332 BEW 0.8643
1333 PH2 0.8641
1334 FLA 0.8641
1335 PHH 0.8641
1336 JF6 0.8640
1337 2CH 0.8639
1338 2AF 0.8638
1339 5NE 0.8637
1340 4HS 0.8637
1341 BNL 0.8637
1342 BML 0.8636
1343 2CL 0.8635
1344 H33 0.8635
1345 4BL 0.8635
1346 EXD 0.8635
1347 4CH 0.8633
1348 M5H 0.8632
1349 I3E 0.8625
1350 92Z 0.8625
1351 28N 0.8623
1352 4HP 0.8622
1353 CEJ 0.8621
1354 9KH 0.8619
1355 QAS 0.8619
1356 GXE 0.8617
1357 1XX 0.8617
1358 GZ8 0.8616
1359 FHC 0.8616
1360 XIZ 0.8614
1361 IOS 0.8612
1362 8LG 0.8610
1363 KDG 0.8608
1364 TMT 0.8604
1365 ZYR 0.8604
1366 X0W 0.8603
1367 V1L 0.8601
1368 YTX 0.8600
1369 HHR 0.8598
1370 YQA 0.8597
1371 HX4 0.8594
1372 5VL 0.8592
1373 UNJ 0.8591
1374 FP2 0.8591
1375 6KT 0.8591
1376 2IM 0.8589
1377 B5D 0.8588
1378 OA3 0.8587
1379 4JN 0.8586
1380 1AN 0.8586
1381 3PY 0.8582
1382 THR 0.8580
1383 DX3 0.8580
1384 JZ0 0.8579
1385 NTZ 0.8577
1386 4JC 0.8577
1387 HTS 0.8576
1388 HYN 0.8571
1389 CFA 0.8571
1390 MBN 0.8571
1391 JKZ 0.8570
1392 8CL 0.8568
1393 IPH 0.8566
1394 BPY 0.8564
1395 HNQ 0.8563
1396 JYB 0.8554
1397 TTO 0.8553
1398 ESP 0.8553
1399 HHN 0.8551
1400 DQY 0.8550
1401 7MX 0.8549
1402 3ZB 0.8548
1403 1X7 0.8545
1404 BPU 0.8544
1405 4BY 0.8541
1406 NK2 0.8539
1407 ROI 0.8537
1408 93Q 0.8537
1409 PIH 0.8534
1410 TMZ 0.8533
1411 3AP 0.8526
1412 8HC 0.8523
1413 HGW 0.8511
1414 2AP 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GV4; Ligand: MEJ; 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: 4gv4.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback