Receptor
PDB id Resolution Class Description Source Keywords
3KCZ 2 Å EC: 2.4.2.30 HUMAN POLY(ADP-RIBOSE) POLYMERASE 2, CATALYTIC FRAGMENT IN C WITH AN INHIBITOR 3-AMINOBENZAMIDE HOMO SAPIENS TRANSFERASE ENZYME-INHIBITOR COMPLEX CATALYTIC FRAGMENT SGENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC GLYCOSYLTRANNAD NUCLEUS DNA-BINDING
Ref.: CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COMPLEX WITH PARP INHIBITOR ABT-888. BIOCHEMISTRY V. 49 1056 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3AB A:1;
B:1;
 Valid;
Valid;
 none;
none;
 submit data
136.151 C7 H8 N2 O c1cc(...
GOL A:580;
B:580;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KJD 1.95 Å EC: 2.4.2.30 HUMAN POLY(ADP-RIBOSE) POLYMERASE 2, CATALYTIC FRAGMENT IN C WITH AN INHIBITOR ABT-888 HOMO SAPIENS TRANSFERASE ENZYME-INHIBITOR COMPLEX CATALYTIC FRAGMENT SGENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC GLYCOSYLTRANNAD NUCLEUS DNA-BINDING
Ref.: CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COMPLEX WITH PARP INHIBITOR ABT-888. BIOCHEMISTRY V. 49 1056 2010
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4TVJ ic50 = 251 nM 09L C24 H23 F N4 O3 c1ccc2c(c1....
2 4ZZY Kd = 1.389 uM D7N C20 H24 F3 N3 O2 c1c(cc(c2c....
3 4PJV - 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
4 3KCZ - 3AB C7 H8 N2 O c1cc(cc(c1....
5 3KJD Kd = 2.9 nM 78P C13 H16 N4 O C[C@@]1(CC....
6 4ZZX Kd = 0.125 uM FSU C13 H16 N2 O3 COCCCN1Cc2....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4TVJ ic50 = 251 nM 09L C24 H23 F N4 O3 c1ccc2c(c1....
2 4ZZY Kd = 1.389 uM D7N C20 H24 F3 N3 O2 c1c(cc(c2c....
3 4PJV - 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
4 3KCZ - 3AB C7 H8 N2 O c1cc(cc(c1....
5 3KJD Kd = 2.9 nM 78P C13 H16 N4 O C[C@@]1(CC....
6 4ZZX Kd = 0.125 uM FSU C13 H16 N2 O3 COCCCN1Cc2....
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: 3AB; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 3AB 1 1
2 GAB 0.6 0.652174
3 WCE 0.515152 0.652174
4 UNU 0.433333 0.736842
5 NCA 0.411765 0.6
6 93K 0.4 0.826087
Similar Ligands (3D)
Ligand no: 1; Ligand: 3AB; Similar ligands found: 1350
No: Ligand Similarity coefficient
1 3HB 1.0000
2 3NT 1.0000
3 OVV 1.0000
4 5HN 1.0000
5 NMJ 1.0000
6 53C 1.0000
7 8GC 1.0000
8 4CS 1.0000
9 3BZ 0.9997
10 BRT 0.9953
11 1P3 0.9867
12 3OC 0.9822
13 DBH 0.9778
14 3F0 0.9768
15 3HA 0.9768
16 JBK 0.9761
17 FE DB1 0.9756
18 BEZ 0.9751
19 3M0 0.9740
20 YCP 0.9735
21 6PC 0.9732
22 4NC 0.9728
23 DHB 0.9715
24 BEN 0.9714
25 NIO 0.9710
26 BAM 0.9710
27 6CS 0.9706
28 AC0 0.9701
29 VGL 0.9698
30 5RG 0.9697
31 PBC 0.9693
32 INO 0.9686
33 7MU 0.9686
34 9TZ 0.9683
35 BE7 0.9680
36 2HO 0.9677
37 GTQ 0.9677
38 3MB 0.9672
39 3HM 0.9671
40 P9P 0.9671
41 XX2 0.9669
42 PZA 0.9669
43 JLZ 0.9669
44 51R 0.9668
45 OVM 0.9667
46 4A3 0.9666
47 NNO 0.9665
48 MYJ 0.9665
49 NTN 0.9660
50 FHB 0.9658
51 ORO 0.9658
52 NBZ 0.9656
53 MLT 0.9650
54 OXC 0.9647
55 45L 0.9646
56 GYE 0.9646
57 9TW 0.9639
58 SAL 0.9638
59 069 0.9636
60 SS1 0.9628
61 CHB 0.9626
62 J9T 0.9626
63 5M0 0.9625
64 54G 0.9623
65 BE2 0.9618
66 6M9 0.9613
67 ES6 0.9610
68 OW4 0.9608
69 FBW 0.9607
70 D1X 0.9605
71 34D 0.9603
72 AW5 0.9599
73 BNS 0.9599
74 OAA 0.9597
75 M58 0.9593
76 F60 0.9592
77 14O 0.9590
78 5H1 0.9589
79 SS2 0.9589
80 2AL 0.9588
81 XCZ 0.9587
82 3U4 0.9585
83 5OB 0.9583
84 5MK 0.9578
85 QSB 0.9578
86 2K4 0.9577
87 6AI 0.9575
88 14J 0.9572
89 4SV 0.9571
90 SX1 0.9563
91 3ID 0.9559
92 5MI 0.9559
93 JAE 0.9557
94 HLR 0.9553
95 9EW 0.9553
96 0RW 0.9551
97 PZI 0.9549
98 BZX 0.9546
99 URQ 0.9546
100 5MB 0.9543
101 UGC 0.9541
102 HHA 0.9536
103 IHB 0.9536
104 AHR 0.9535
105 DHK 0.9535
106 QSC 0.9529
107 1P7 0.9528
108 DYA 0.9527
109 TIU 0.9525
110 OVP 0.9524
111 7WG 0.9521
112 F05 0.9519
113 SVN 0.9516
114 11S 0.9514
115 1LQ 0.9513
116 FAN 0.9511
117 6M4 0.9511
118 NIZ 0.9509
119 H42 0.9508
120 ES9 0.9507
121 HPA 0.9504
122 DMD 0.9504
123 GUN 0.9503
124 VNJ 0.9495
125 PHU 0.9488
126 CFI 0.9482
127 N5J 0.9473
128 DOR 0.9470
129 COU 0.9470
130 RSO 0.9469
131 2AQ 0.9467
132 FQI 0.9467
133 JKE 0.9467
134 VNL 0.9466
135 H4N 0.9459
136 BZ3 0.9457
137 QUZ 0.9455
138 OCH 0.9455
139 XQ0 0.9455
140 GAG 0.9454
141 F31 0.9453
142 FK1 0.9452
143 ADZ 0.9452
144 I3A 0.9452
145 1NP 0.9450
146 RM1 0.9450
147 JZ7 0.9449
148 GDE 0.9449
149 S76 0.9449
150 7WV 0.9448
151 7B4 0.9446
152 JBH 0.9445
153 ADE 0.9445
154 LMR 0.9445
155 ISZ 0.9443
156 1SQ 0.9442
157 R8S 0.9442
158 23A 0.9442
159 7HQ 0.9442
160 5B1 0.9440
161 1LM 0.9439
162 03V 0.9438
163 BHO 0.9438
164 PDC 0.9433
165 5SG 0.9432
166 4FS 0.9432
167 ES1 0.9431
168 5IQ 0.9430
169 JPZ 0.9428
170 JB5 0.9427
171 IT2 0.9426
172 HIS 0.9426
173 EA1 0.9424
174 GBD 0.9420
175 PAC 0.9420
176 RSF 0.9420
177 C2A 0.9419
178 IFP 0.9418
179 9DG 0.9418
180 42C 0.9416
181 X0V 0.9414
182 ES5 0.9414
183 60P 0.9414
184 SKM 0.9413
185 TEO 0.9412
186 AX7 0.9411
187 270 0.9411
188 Q6T 0.9411
189 3AL 0.9410
190 ABV 0.9409
191 6MP 0.9409
192 J9W 0.9407
193 2DR 0.9406
194 AZA 0.9405
195 XAN 0.9404
196 KOJ 0.9403
197 1DW 0.9403
198 PHB 0.9402
199 NPO 0.9402
200 NPY 0.9401
201 4YS 0.9401
202 5Q0 0.9401
203 UNC 0.9400
204 A13 0.9399
205 PCA 0.9399
206 2LP 0.9399
207 8NY 0.9394
208 3PF 0.9387
209 Q88 0.9386
210 HH8 0.9384
211 7NI 0.9383
212 9DA 0.9383
213 AZ8 0.9383
214 FOT 0.9382
215 KKN 0.9381
216 PAB 0.9381
217 IGA 0.9381
218 24W 0.9380
219 O72 0.9379
220 IJZ 0.9379
221 TZE 0.9379
222 2MI 0.9377
223 Q24 0.9376
224 ET2 0.9375
225 I1E 0.9375
226 1PT 0.9374
227 1Y6 0.9373
228 PYF 0.9373
229 826 0.9371
230 HBD 0.9371
231 HX3 0.9370
232 3SK 0.9370
233 5NU 0.9369
234 5AC 0.9369
235 4XR 0.9366
236 P72 0.9365
237 SHA 0.9365
238 4XH 0.9365
239 URC 0.9364
240 JFJ 0.9364
241 FA0 0.9363
242 DOB 0.9363
243 282 0.9363
244 HLZ 0.9362
245 42A 0.9362
246 ISN 0.9360
247 YH7 0.9360
248 IND 0.9359
249 KBB 0.9359
250 A2F 0.9359
251 1WD 0.9358
252 GZL 0.9358
253 3FH 0.9357
254 LZ1 0.9354
255 AQO 0.9354
256 LZM 0.9353
257 PBZ 0.9352
258 ES7 0.9352
259 MUC 0.9352
260 ICO 0.9351
261 BHA 0.9351
262 PM6 0.9351
263 DIN 0.9350
264 4FH 0.9349
265 10L 0.9349
266 HQY 0.9349
267 141 0.9349
268 4P5 0.9348
269 AKH 0.9348
270 CWM 0.9347
271 QWN 0.9347
272 GLC 0.9347
273 DEN 0.9346
274 BZI 0.9346
275 M5K 0.9346
276 PE0 0.9345
277 5RN 0.9345
278 EYK 0.9345
279 6AP 0.9343
280 EKZ 0.9343
281 HBX 0.9342
282 HY3 0.9341
283 ES2 0.9340
284 3NY 0.9339
285 5CU 0.9339
286 G3E 0.9339
287 MPI 0.9338
288 9HX 0.9337
289 0R1 0.9337
290 MEW 0.9337
291 IDM 0.9337
292 VGD 0.9335
293 4HC 0.9335
294 9MG 0.9335
295 5WV 0.9335
296 A7W 0.9334
297 92K 0.9333
298 AZG 0.9332
299 C21 0.9332
300 M1E 0.9332
301 OK7 0.9331
302 M1Q 0.9331
303 7HP 0.9330
304 4MA 0.9329
305 0HN 0.9329
306 PMB 0.9329
307 SYN 0.9329
308 ABN 0.9329
309 FPI 0.9329
310 BZF 0.9328
311 SW7 0.9327
312 CLW 0.9327
313 7N0 0.9327
314 7VS 0.9327
315 BGC 0.9327
316 BP1 0.9326
317 FYU 0.9326
318 AJ2 0.9325
319 5XC 0.9324
320 ES0 0.9323
321 DBX 0.9323
322 4JP 0.9323
323 67N 0.9322
324 2HQ 0.9322
325 XM0 0.9322
326 PY7 0.9321
327 M1A 0.9321
328 4M0 0.9321
329 BOA 0.9320
330 36R 0.9319
331 FB2 0.9319
332 MRW 0.9318
333 GVH 0.9318
334 AGK 0.9318
335 ASP 0.9318
336 5QY 0.9318
337 F0J 0.9317
338 AMC 0.9317
339 TPA 0.9316
340 P92 0.9315
341 1P8 0.9313
342 0HO 0.9311
343 QBK 0.9311
344 2RH 0.9311
345 C2U 0.9311
346 NBE 0.9310
347 98J 0.9310
348 3XX 0.9310
349 OXQ 0.9309
350 SMV 0.9309
351 FBB 0.9308
352 HIO 0.9306
353 TP5 0.9305
354 DE5 0.9304
355 LT2 0.9304
356 BTE 0.9303
357 P3K 0.9302
358 PRZ 0.9302
359 M0Q 0.9302
360 174 0.9300
361 MXN 0.9300
362 ZZ3 0.9300
363 MUA 0.9300
364 2CK 0.9298
365 TH7 0.9295
366 2ZM 0.9294
367 KT7 0.9294
368 M1H 0.9294
369 2A7 0.9293
370 PRO 0.9293
371 CFP 0.9293
372 FEH 0.9293
373 FP1 0.9292
374 Z82 0.9291
375 1XM 0.9291
376 4SX 0.9290
377 K5W 0.9289
378 LNR 0.9288
379 4HM 0.9288
380 K2T 0.9287
381 HMH 0.9287
382 4ZC 0.9286
383 6NT 0.9283
384 6GU 0.9282
385 DFB 0.9281
386 2CQ 0.9280
387 NOJ 0.9280
388 7WA 0.9279
389 CWS 0.9277
390 1XN 0.9277
391 ASN 0.9276
392 FBM 0.9275
393 86J 0.9273
394 M2K 0.9273
395 DHQ 0.9271
396 L5V 0.9270
397 290 0.9270
398 0W8 0.9269
399 SE2 0.9268
400 5JQ 0.9268
401 4AA 0.9267
402 EDR 0.9267
403 GIF 0.9266
404 E7Z 0.9265
405 NK 0.9264
406 HQJ 0.9264
407 173 0.9264
408 AC6 0.9264
409 FBU 0.9263
410 75K 0.9263
411 ZXD 0.9263
412 HJP 0.9263
413 DIU 0.9263
414 R8V 0.9263
415 7W4 0.9262
416 QSH 0.9262
417 DX4 0.9261
418 V55 0.9261
419 KUF 0.9258
420 3Z7 0.9257
421 ABI 0.9256
422 QXW 0.9255
423 261 0.9254
424 MR1 0.9254
425 F12 0.9253
426 BTY 0.9253
427 ES4 0.9253
428 150 0.9253
429 D48 0.9252
430 2D0 0.9250
431 SPA 0.9250
432 8TX 0.9250
433 DRL 0.9248
434 47J 0.9248
435 0CT 0.9246
436 BDP 0.9246
437 A29 0.9245
438 J5I 0.9245
439 XAZ 0.9245
440 ASC 0.9244
441 CXF 0.9244
442 B2J 0.9243
443 4WL 0.9242
444 JBN 0.9242
445 JBE 0.9240
446 54D 0.9239
447 3IT 0.9239
448 40E 0.9237
449 XYL 0.9237
450 RB5 0.9237
451 FBV 0.9236
452 5NI 0.9234
453 FGZ 0.9233
454 L3Q 0.9232
455 J9Q 0.9232
456 SVD 0.9232
457 FOA 0.9232
458 2HU 0.9231
459 8WO 0.9231
460 DIE 0.9231
461 TZC 0.9230
462 B55 0.9228
463 LYL 0.9228
464 TH0 0.9228
465 JZ5 0.9225
466 XYP 0.9225
467 MJ2 0.9224
468 4M4 0.9223
469 MZW 0.9222
470 DA4 0.9221
471 HSO 0.9221
472 JZ3 0.9220
473 4JT 0.9220
474 4ZA 0.9219
475 SJ5 0.9219
476 2PC 0.9219
477 F9P 0.9219
478 3A9 0.9218
479 258 0.9217
480 M4T 0.9216
481 5VM 0.9216
482 JAW 0.9213
483 MRZ 0.9213
484 25W 0.9212
485 6NI 0.9210
486 PD2 0.9210
487 1WG 0.9210
488 XBT 0.9210
489 6TZ 0.9209
490 TLA 0.9209
491 HH5 0.9207
492 1F1 0.9206
493 4Z4 0.9206
494 4ME 0.9206
495 0P6 0.9205
496 COI 0.9205
497 G3F 0.9205
498 CRS 0.9203
499 2F6 0.9202
500 F4Z 0.9201
501 NXA 0.9200
502 G5V 0.9198
503 SEP 0.9197
504 1MR 0.9196
505 HMU 0.9196
506 RIB 0.9194
507 EUG 0.9193
508 6RQ 0.9193
509 WBU 0.9193
510 TDR 0.9191
511 PYC 0.9190
512 URF 0.9189
513 MWM 0.9189
514 GCS 0.9188
515 G4D 0.9187
516 8CM 0.9187
517 AZ9 0.9187
518 MCT 0.9187
519 0CU 0.9183
520 3DO 0.9181
521 0R0 0.9181
522 5JL 0.9180
523 G6D 0.9180
524 MNN 0.9179
525 4ZE 0.9179
526 FB1 0.9178
527 2YU 0.9178
528 1DU 0.9177
529 HT4 0.9177
530 9YT 0.9176
531 EV0 0.9175
532 284 0.9175
533 BCP 0.9175
534 ZZT 0.9175
535 OXZ 0.9174
536 PEL 0.9173
537 QY9 0.9172
538 12Q 0.9172
539 GJZ 0.9171
540 0F9 0.9171
541 DNF 0.9171
542 HBA 0.9170
543 IFM 0.9169
544 TC7 0.9169
545 AL0 0.9168
546 RNS 0.9168
547 HQT 0.9167
548 5QX 0.9166
549 7W1 0.9166
550 DAS 0.9166
551 265 0.9164
552 L99 0.9164
553 1DJ 0.9163
554 1DV 0.9162
555 2EC 0.9160
556 TM7 0.9159
557 BSX 0.9158
558 K34 0.9154
559 GRE 0.9153
560 HQD 0.9153
561 JA8 0.9153
562 OMD 0.9152
563 263 0.9149
564 ASO 0.9149
565 4JQ 0.9149
566 XQG 0.9148
567 HGQ 0.9148
568 GLU 0.9148
569 8S0 0.9148
570 M2H 0.9147
571 3R6 0.9147
572 52C 0.9146
573 32X 0.9145
574 URA 0.9145
575 AS3 0.9144
576 6OT 0.9142
577 ONR 0.9142
578 Z6J 0.9140
579 0N7 0.9140
580 SRT 0.9138
581 286 0.9138
582 273 0.9138
583 FUM 0.9138
584 B3R 0.9136
585 F81 0.9134
586 LDP 0.9134
587 3SL 0.9134
588 RCO 0.9133
589 GUA 0.9133
590 24B 0.9133
591 8H8 0.9133
592 G2F 0.9132
593 7WR 0.9130
594 SNE 0.9129
595 PEA 0.9129
596 M3T 0.9129
597 XYD 0.9127
598 2AK 0.9126
599 ICP 0.9125
600 PYD 0.9125
601 MWP 0.9125
602 8IG 0.9124
603 XBZ 0.9124
604 HDH 0.9123
605 HEW 0.9123
606 3Z8 0.9123
607 LDU 0.9121
608 1MC 0.9120
609 TTL 0.9120
610 MZG 0.9118
611 HY1 0.9117
612 5UC 0.9117
613 8WT 0.9116
614 R20 0.9116
615 92P 0.9116
616 PYJ 0.9113
617 2AC 0.9112
618 RNT 0.9112
619 CTL 0.9112
620 4HO 0.9111
621 3CH 0.9111
622 2MP 0.9110
623 DGJ 0.9110
624 DBJ 0.9109
625 8G0 0.9109
626 C2Y 0.9108
627 LG3 0.9108
628 PKU 0.9107
629 JZ9 0.9107
630 4XV 0.9106
631 34A 0.9106
632 LXC 0.9103
633 JB8 0.9102
634 MO8 0.9102
635 6M1 0.9102
636 0FO 0.9102
637 PEP 0.9101
638 BVF 0.9101
639 AKG 0.9101
640 IP0 0.9100
641 HPS 0.9100
642 GV9 0.9099
643 2ZV 0.9097
644 5JC 0.9097
645 26D 0.9097
646 SWD 0.9096
647 SKA 0.9096
648 15L 0.9095
649 KJU 0.9095
650 URP 0.9095
651 GXY 0.9095
652 4VP 0.9094
653 JDN 0.9094
654 1AL 0.9093
655 13P 0.9093
656 HYP 0.9092
657 H7Y 0.9092
658 LG5 0.9091
659 9CL 0.9090
660 4JJ 0.9089
661 3DM 0.9089
662 PIM 0.9088
663 RAT 0.9088
664 717 0.9088
665 F9Y 0.9087
666 HSE 0.9087
667 SYV 0.9086
668 6F0 0.9086
669 MRY 0.9086
670 VXX 0.9085
671 1M2 0.9084
672 8OZ 0.9083
673 6JN 0.9081
674 DTL 0.9081
675 A1U 0.9080
676 QPR 0.9080
677 82I 0.9079
678 XUL 0.9079
679 H76 0.9078
680 OHG 0.9076
681 N2Z 0.9076
682 4YO 0.9076
683 495 0.9074
684 APY 0.9074
685 MQN 0.9074
686 GLY GLY 0.9073
687 4H2 0.9073
688 URS 0.9072
689 CDV 0.9072
690 M6N 0.9071
691 CYT 0.9071
692 JZ2 0.9069
693 OHP 0.9069
694 DQU 0.9069
695 TYL 0.9068
696 271 0.9068
697 KYD 0.9067
698 CWJ 0.9066
699 RMN 0.9066
700 4CL 0.9065
701 PXL 0.9065
702 OGA 0.9064
703 CTS 0.9063
704 FDB 0.9062
705 IF7 0.9060
706 43M 0.9060
707 0JD 0.9059
708 UY7 0.9058
709 IFL 0.9058
710 45C 0.9058
711 GTR 0.9058
712 5GU 0.9056
713 CIG 0.9056
714 GAL 0.9053
715 AAS 0.9053
716 DHS 0.9051
717 MAN 0.9051
718 FCR 0.9050
719 XX3 0.9050
720 B62 0.9050
721 6LW 0.9048
722 QOS 0.9047
723 XHP 0.9047
724 MZB 0.9046
725 2LY 0.9045
726 SR1 0.9045
727 O2A 0.9044
728 M4E 0.9044
729 KTA 0.9042
730 MWJ 0.9041
731 ICF 0.9040
732 DHR 0.9039
733 MAQ 0.9039
734 3HG 0.9039
735 27Y 0.9038
736 AZF 0.9038
737 PG3 0.9037
738 ZBT 0.9037
739 SIN 0.9037
740 XRG 0.9036
741 B60 0.9036
742 TZL 0.9035
743 6VD 0.9034
744 MT0 0.9033
745 EQT 0.9031
746 2XX 0.9031
747 23W 0.9031
748 WOT 0.9030
749 RJY 0.9029
750 4MU 0.9028
751 AJV 0.9027
752 FA1 0.9027
753 8EW 0.9027
754 5WY 0.9026
755 2A9 0.9024
756 NOY 0.9023
757 AEH 0.9022
758 GRO 0.9022
759 PGH 0.9021
760 BR9 0.9021
761 JAB 0.9020
762 IV2 0.9018
763 4P0 0.9018
764 9X7 0.9017
765 NYL 0.9017
766 RAM 0.9017
767 42J 0.9016
768 XIY 0.9016
769 6ME 0.9016
770 8GF 0.9015
771 IHG 0.9014
772 0TU 0.9014
773 LSA 0.9012
774 KJH 0.9012
775 KDF 0.9012
776 0TR 0.9012
777 5MH 0.9012
778 44W 0.9011
779 UAN 0.9011
780 FBJ 0.9010
781 RD4 0.9009
782 UFV 0.9009
783 J1Z 0.9009
784 NID 0.9009
785 97T 0.9008
786 HHQ 0.9008
787 HX2 0.9008
788 HZQ 0.9005
789 OTW 0.9004
790 R8A 0.9004
791 ODO 0.9004
792 SAN 0.9003
793 B24 0.9002
794 F5B 0.9002
795 7CZ 0.9002
796 NDH 0.9001
797 B85 0.9001
798 HXX 0.9001
799 OW7 0.8999
800 TAR 0.8999
801 HC4 0.8999
802 II6 0.8999
803 3HP 0.8997
804 MS9 0.8996
805 CEE 0.8996
806 TSU 0.8995
807 BEA 0.8995
808 G2H 0.8995
809 4XS 0.8995
810 XLS 0.8994
811 OTR 0.8994
812 5RO 0.8994
813 X05 0.8993
814 94W 0.8992
815 NSP 0.8992
816 APZ 0.8990
817 12M 0.8987
818 DMJ 0.8986
819 7ME 0.8983
820 PIY 0.8983
821 1SA 0.8983
822 XXR 0.8983
823 9FL 0.8982
824 S2P 0.8982
825 N2I 0.8982
826 4SD 0.8982
827 7ZE 0.8981
828 5WX 0.8980
829 HSM 0.8979
830 QIC 0.8977
831 SOE 0.8976
832 TAG 0.8975
833 E5X 0.8974
834 D07 0.8973
835 44V 0.8973
836 N8P 0.8973
837 LEU 0.8973
838 2PG 0.8972
839 INE 0.8972
840 OKG 0.8971
841 G3H 0.8970
842 G3P 0.8970
843 N3W 0.8970
844 LCN 0.8968
845 B53 0.8968
846 FUL 0.8968
847 EOL 0.8965
848 4JL 0.8965
849 QX2 0.8965
850 3PG 0.8964
851 TWO 0.8964
852 JYD 0.8963
853 FBS 0.8962
854 GLN 0.8962
855 GIO 0.8962
856 8ZE 0.8961
857 CN0 0.8960
858 5XB 0.8959
859 SMN 0.8959
860 2ZQ 0.8958
861 GLA 0.8958
862 X09 0.8957
863 9R5 0.8957
864 MEV 0.8956
865 BP9 0.8955
866 IPZ 0.8954
867 AH8 0.8953
868 JZ1 0.8953
869 GAF 0.8953
870 Z5P 0.8952
871 A09 0.8951
872 9RW 0.8951
873 4NM 0.8951
874 LER 0.8951
875 SN4 0.8950
876 MVN 0.8950
877 RHU 0.8950
878 R9S 0.8949
879 TEP 0.8949
880 4NG 0.8949
881 IDH 0.8948
882 2BG 0.8946
883 275 0.8945
884 RBL 0.8944
885 ANN 0.8944
886 PRS 0.8943
887 XXG 0.8942
888 6UA 0.8942
889 KIV 0.8942
890 2FY 0.8941
891 13X 0.8941
892 9CA 0.8940
893 R2B 0.8939
894 69O 0.8938
895 EXO 0.8937
896 LGC 0.8936
897 4FA 0.8936
898 BCU 0.8935
899 PBA 0.8934
900 CRN 0.8934
901 H8N 0.8933
902 IUR 0.8932
903 2H5 0.8932
904 B57 0.8931
905 1IT 0.8930
906 TLD 0.8930
907 DUC 0.8930
908 JZ4 0.8928
909 AX2 0.8927
910 MNM 0.8927
911 4JM 0.8925
912 IPB 0.8925
913 HLD 0.8925
914 FUD 0.8923
915 M3H 0.8923
916 1GP 0.8923
917 BK9 0.8922
918 KJY 0.8922
919 4JO 0.8921
920 2FG 0.8921
921 APG 0.8920
922 QMP 0.8919
923 0LH 0.8919
924 AHB 0.8919
925 GZ3 0.8916
926 O7U 0.8915
927 H3M 0.8914
928 TSS 0.8913
929 39A 0.8911
930 GP9 0.8911
931 23J 0.8911
932 ADA 0.8911
933 SPV 0.8910
934 SC2 0.8908
935 PRY 0.8908
936 JXN 0.8908
937 4J8 0.8907
938 GVG 0.8907
939 Y8I 0.8906
940 N8Y 0.8906
941 GCU 0.8906
942 BZ2 0.8905
943 FPY 0.8905
944 PYG 0.8905
945 AMS 0.8904
946 ITN 0.8904
947 JND 0.8903
948 T6C 0.8903
949 2ZX 0.8902
950 8K2 0.8901
951 GIV 0.8899
952 6MH 0.8899
953 51F 0.8897
954 PBE 0.8897
955 TT4 0.8897
956 JBQ 0.8897
957 SF9 0.8893
958 DHY 0.8893
959 KMH 0.8892
960 3WA 0.8892
961 AX3 0.8890
962 GLY PRO 0.8890
963 X6X 0.8889
964 DS0 0.8888
965 SD4 0.8885
966 FRU 0.8885
967 HA5 0.8885
968 3MC 0.8884
969 E35 0.8883
970 1DQ 0.8883
971 MBD 0.8883
972 149 0.8882
973 DUB 0.8881
974 4BZ 0.8881
975 293 0.8880
976 FH2 0.8880
977 2FT 0.8879
978 9YL 0.8878
979 LKA 0.8878
980 AEF 0.8877
981 FW5 0.8877
982 GGL 0.8875
983 JIF 0.8874
984 XYS 0.8874
985 TOF 0.8873
986 7MH 0.8873
987 3AY 0.8872
988 MBG 0.8872
989 2HG 0.8872
990 R67 0.8871
991 MAK 0.8871
992 4TU 0.8870
993 264 0.8870
994 M6W 0.8869
995 SWA 0.8869
996 PEQ 0.8868
997 MAE 0.8868
998 DGN 0.8867
999 HQ9 0.8866
1000 BR8 0.8865
1001 ORN 0.8863
1002 0V5 0.8862
1003 RXA 0.8862
1004 FBA 0.8861
1005 GOJ 0.8861
1006 XSP 0.8860
1007 PNZ 0.8859
1008 QUS 0.8858
1009 SOR 0.8856
1010 RIP 0.8855
1011 PPR 0.8853
1012 152 0.8853
1013 3BU 0.8853
1014 KDV 0.8853
1015 TFB 0.8852
1016 GXL 0.8851
1017 PHE 0.8850
1018 2CM 0.8849
1019 BNF 0.8849
1020 NQ 0.8848
1021 LRH 0.8848
1022 SHG 0.8848
1023 9FE 0.8847
1024 5ZE 0.8847
1025 FDK 0.8847
1026 CH9 0.8847
1027 HCS 0.8846
1028 R2P 0.8844
1029 PQK 0.8844
1030 2FQ 0.8843
1031 DIG 0.8843
1032 2TQ 0.8843
1033 NLE 0.8841
1034 TTY 0.8841
1035 0GZ 0.8840
1036 RUY 0.8840
1037 2AS 0.8840
1038 YRL 0.8839
1039 TRC 0.8838
1040 5AN 0.8837
1041 CIZ 0.8835
1042 WDL 0.8834
1043 M1Z 0.8833
1044 E1T 0.8832
1045 ERH 0.8832
1046 WOO 0.8832
1047 1LN 0.8832
1048 TGX 0.8832
1049 1GN 0.8829
1050 ICB 0.8828
1051 SRO 0.8827
1052 278 0.8827
1053 NCD 0.8827
1054 N4B 0.8826
1055 SYG 0.8826
1056 15E 0.8826
1057 ONL 0.8825
1058 HVQ 0.8825
1059 FUC 0.8823
1060 0MK 0.8823
1061 TM4 0.8822
1062 PYQ 0.8822
1063 GMN 0.8822
1064 I4B 0.8821
1065 280 0.8821
1066 FLM 0.8821
1067 4JU 0.8821
1068 TRA 0.8820
1069 DAL DAL 0.8820
1070 JF6 0.8820
1071 285 0.8819
1072 3FA 0.8818
1073 VK3 0.8817
1074 ALL 0.8817
1075 PEZ 0.8817
1076 0W1 0.8816
1077 FBT 0.8815
1078 KBG 0.8815
1079 MPV 0.8815
1080 15N 0.8814
1081 GOO 0.8814
1082 JFD 0.8814
1083 LLQ 0.8813
1084 S2G 0.8813
1085 3MA 0.8811
1086 ADK 0.8811
1087 463 0.8811
1088 HPY 0.8811
1089 ECE 0.8808
1090 6FZ 0.8807
1091 329 0.8807
1092 6XI 0.8806
1093 H4E 0.8805
1094 RBJ 0.8805
1095 PFL 0.8805
1096 2HC 0.8804
1097 NCT 0.8803
1098 VOH 0.8801
1099 2MY 0.8801
1100 J9N 0.8800
1101 37T 0.8799
1102 KIB 0.8796
1103 EVA 0.8794
1104 4AV 0.8792
1105 FA3 0.8791
1106 GCB 0.8789
1107 FK8 0.8789
1108 PRA 0.8789
1109 QWW 0.8789
1110 2C9 0.8784
1111 HA7 0.8784
1112 3CE 0.8780
1113 DQA 0.8780
1114 C2B 0.8780
1115 SXS 0.8780
1116 MAJ 0.8779
1117 CFF 0.8777
1118 PLQ 0.8775
1119 9KT 0.8774
1120 TCZ 0.8774
1121 HDA 0.8773
1122 DEE 0.8772
1123 259 0.8772
1124 YIO 0.8772
1125 4V2 0.8772
1126 DFU 0.8772
1127 EMZ 0.8771
1128 GJS 0.8769
1129 DGL 0.8769
1130 ARB 0.8768
1131 J6W 0.8766
1132 AY4 0.8766
1133 NVI 0.8766
1134 PA1 0.8766
1135 94N 0.8765
1136 CAQ 0.8765
1137 ZZ8 0.8764
1138 PQ0 0.8764
1139 40O 0.8764
1140 BMA 0.8762
1141 GM7 0.8762
1142 BDF 0.8762
1143 YSO 0.8762
1144 TBP 0.8762
1145 3MG 0.8762
1146 3QM 0.8761
1147 M45 0.8761
1148 PSV 0.8761
1149 AJY 0.8760
1150 AIN 0.8759
1151 PEY 0.8758
1152 OSE 0.8758
1153 FFP 0.8755
1154 8XL 0.8754
1155 39O 0.8753
1156 KMT 0.8752
1157 NVA 0.8752
1158 DA1 0.8751
1159 35C 0.8749
1160 OXE 0.8748
1161 ESP 0.8747
1162 PHT 0.8747
1163 64K 0.8746
1164 46P 0.8745
1165 JUG 0.8745
1166 24T 0.8742
1167 XXP 0.8741
1168 3MH 0.8740
1169 C9E 0.8740
1170 HQE 0.8740
1171 0OC 0.8740
1172 FCA 0.8735
1173 FPN 0.8733
1174 AHN 0.8733
1175 MSN 0.8731
1176 G1O 0.8731
1177 7B3 0.8731
1178 M0W 0.8729
1179 GCO 0.8727
1180 T9G 0.8726
1181 PCR 0.8724
1182 DMG 0.8724
1183 MET 0.8723
1184 F4E 0.8722
1185 LG4 0.8722
1186 THR 0.8721
1187 MZ0 0.8721
1188 CIT 0.8720
1189 T2C 0.8720
1190 6R8 0.8719
1191 ESX 0.8719
1192 IWT 0.8718
1193 5CL 0.8718
1194 ZWZ 0.8716
1195 1A7 0.8716
1196 3C4 0.8716
1197 OTD 0.8712
1198 VAL 0.8712
1199 SLS 0.8710
1200 PXY 0.8710
1201 DNC 0.8710
1202 BVC 0.8708
1203 PAF 0.8707
1204 XDE 0.8706
1205 NTM 0.8706
1206 FPK 0.8704
1207 JTH 0.8704
1208 2EH 0.8703
1209 091 0.8703
1210 PRF 0.8702
1211 CPZ 0.8696
1212 ABE 0.8696
1213 KIA 0.8696
1214 BPN 0.8694
1215 NDM 0.8693
1216 KFH 0.8693
1217 QX4 0.8693
1218 FLC 0.8692
1219 NVU 0.8692
1220 Q71 0.8692
1221 CSS 0.8691
1222 GZ8 0.8691
1223 KLW 0.8691
1224 Q7A 0.8691
1225 JG8 0.8690
1226 1WC 0.8690
1227 IAC 0.8687
1228 MLA 0.8686
1229 4VY 0.8685
1230 9TY 0.8685
1231 EGR 0.8684
1232 ESI 0.8683
1233 PMF 0.8683
1234 H62 0.8679
1235 SIF 0.8679
1236 C5J 0.8678
1237 E60 0.8678
1238 25R 0.8677
1239 TZF 0.8675
1240 LI6 0.8675
1241 UEG 0.8675
1242 HHH 0.8675
1243 PGA 0.8675
1244 209 0.8670
1245 MED 0.8670
1246 KDG 0.8670
1247 RPQ 0.8669
1248 0BP 0.8664
1249 9ZE 0.8664
1250 GXE 0.8663
1251 R9Y 0.8663
1252 2O6 0.8662
1253 DTU 0.8658
1254 ZGL 0.8658
1255 NEQ 0.8658
1256 SF6 0.8656
1257 DZX 0.8655
1258 4HS 0.8654
1259 4CH 0.8653
1260 95Z 0.8653
1261 P2D 0.8653
1262 1KP 0.8651
1263 ACH 0.8650
1264 Q02 0.8648
1265 FUF 0.8648
1266 SNU 0.8647
1267 XDK 0.8647
1268 L89 0.8645
1269 RUU 0.8643
1270 MSR 0.8643
1271 PHH 0.8642
1272 36E 0.8641
1273 YHO 0.8640
1274 BEW 0.8640
1275 CLZ 0.8639
1276 SYA 0.8638
1277 5NE 0.8638
1278 12B 0.8637
1279 MLI 0.8636
1280 2AF 0.8636
1281 2CH 0.8635
1282 BVG 0.8635
1283 92Z 0.8635
1284 TBS 0.8634
1285 BML 0.8634
1286 AUD 0.8634
1287 H33 0.8633
1288 E7S 0.8633
1289 7UC 0.8632
1290 AMH 0.8631
1291 PXM 0.8630
1292 2KT 0.8627
1293 ARA 0.8627
1294 1XX 0.8627
1295 KVP 0.8625
1296 ICC 0.8618
1297 QAS 0.8618
1298 3PY 0.8617
1299 8LG 0.8615
1300 HTS 0.8614
1301 K17 0.8614
1302 FP2 0.8614
1303 8CL 0.8611
1304 EN1 0.8606
1305 FLA 0.8601
1306 LYS 0.8600
1307 I6G 0.8597
1308 L22 0.8596
1309 1AN 0.8596
1310 HIU 0.8594
1311 FCB 0.8589
1312 6KT 0.8586
1313 MBN 0.8585
1314 7VJ 0.8585
1315 N7P 0.8579
1316 X1S 0.8579
1317 CEJ 0.8578
1318 JKZ 0.8577
1319 W81 0.8575
1320 25T 0.8574
1321 M44 0.8573
1322 F69 0.8573
1323 4JN 0.8572
1324 IPH 0.8570
1325 GLL 0.8567
1326 HYN 0.8566
1327 GF4 0.8566
1328 1X7 0.8563
1329 938 0.8557
1330 YQA 0.8555
1331 PH2 0.8555
1332 RM4 0.8554
1333 TTO 0.8553
1334 93Q 0.8550
1335 X8D 0.8547
1336 MFB 0.8544
1337 HHN 0.8542
1338 CMS 0.8540
1339 7MX 0.8540
1340 BPU 0.8536
1341 3YP 0.8534
1342 HGW 0.8533
1343 ZB1 0.8533
1344 HHR 0.8533
1345 PIH 0.8532
1346 4A5 0.8528
1347 TMZ 0.8527
1348 76X 0.8527
1349 HNQ 0.8525
1350 TMT 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KJD; Ligand: 78P; 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: 3kjd.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KJD; Ligand: 78P; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 3kjd.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3ESS 18N 4.78261
2 6W65 T9D 16.9675
3 6W65 T9D 16.9675
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