Receptor
PDB id Resolution Class Description Source Keywords
5MGK 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH 4-PRO PYRROLE DERIVATIVE 2 HOMO SAPIENS FOUR HELICAL BUNDLE TRANSCRIPTION
Ref.: DISCOVERY OF BAZ2A BROMODOMAIN LIGANDS. EUR J MED CHEM V. 139 564 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7MW A:1901;
 Valid;
 none;
 Kd = 100 uM
181.189 C9 H11 N O3 CCC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FGL 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BAZ2A BROMODOMAIN IN COMPLEX WITH ACETY COMPOUND UZH47 HOMO SAPIENS FOUR HELICAL BUNDLE TRANSCRIPTION
Ref.: STRUCTURAL ANALYSIS OF SMALL-MOLECULE BINDING TO TH AND BAZ2B BROMODOMAINS. CHEMMEDCHEM V. 13 1479 2018
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5MGK Kd = 100 uM 7MW C9 H11 N O3 CCC(=O)c1c....
2 6FGH - 6RZ C10 H16 N2 O2 S Cc1c(cccn1....
3 6FG6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
4 6FGG Kd = 17 uM D9B C18 H20 N4 O4 CN1C=C(C=C....
5 5MGJ Kd = 51 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
6 6FGV - D9T C14 H21 N3 O2 CN1C=C(C=C....
7 6FGL ic50 = 24 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
8 5OR8 - JR4 C17 H18 F N3 O3 S Cc1cc2c(cc....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5MGK Kd = 100 uM 7MW C9 H11 N O3 CCC(=O)c1c....
2 6FGH - 6RZ C10 H16 N2 O2 S Cc1c(cccn1....
3 6FG6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
4 6FGG Kd = 17 uM D9B C18 H20 N4 O4 CN1C=C(C=C....
5 5MGJ Kd = 51 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
6 6FGV - D9T C14 H21 N3 O2 CN1C=C(C=C....
7 6FGL ic50 = 24 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
8 5OR8 - JR4 C17 H18 F N3 O3 S Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5MGK Kd = 100 uM 7MW C9 H11 N O3 CCC(=O)c1c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7MW; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7MW 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 7MW; Similar ligands found: 742
No: Ligand Similarity coefficient
1 4I8 0.9529
2 6KT 0.9499
3 A7H 0.9468
4 N1E 0.9461
5 N4E 0.9448
6 7FU 0.9445
7 7O4 0.9402
8 M78 0.9370
9 Y3L 0.9350
10 QIV 0.9340
11 8CC 0.9332
12 M4N 0.9332
13 E3X 0.9329
14 GO2 0.9327
15 5LA 0.9325
16 RD4 0.9317
17 OW7 0.9307
18 XCG 0.9289
19 HA5 0.9288
20 PDC 0.9285
21 VC3 0.9283
22 B1J 0.9272
23 TMG 0.9271
24 AES 0.9270
25 9R5 0.9267
26 AJ1 0.9265
27 F4E 0.9263
28 JA5 0.9259
29 G14 0.9252
30 1FE 0.9244
31 2QC 0.9242
32 CWJ 0.9240
33 3VX 0.9229
34 LZ5 0.9226
35 363 0.9223
36 JCZ 0.9222
37 N91 0.9218
38 S0D 0.9217
39 ST3 0.9216
40 GCO 0.9215
41 5H6 0.9214
42 ZZA 0.9211
43 3VS 0.9207
44 A6W 0.9203
45 9NB 0.9202
46 94W 0.9201
47 4HB 0.9199
48 RNO 0.9197
49 36M 0.9196
50 AZM 0.9194
51 STX 0.9193
52 JBZ 0.9192
53 S0E 0.9191
54 EUE 0.9191
55 3VQ 0.9190
56 MAJ 0.9190
57 L22 0.9188
58 5NI 0.9187
59 YE6 0.9185
60 KLS 0.9185
61 BVS 0.9185
62 A98 0.9181
63 8XL 0.9180
64 PD2 0.9180
65 KMY 0.9179
66 6HO 0.9178
67 428 0.9178
68 6NI 0.9177
69 0JD 0.9173
70 XI7 0.9173
71 UNJ 0.9173
72 9FE 0.9172
73 ATX 0.9171
74 2FX 0.9170
75 GVY 0.9167
76 6NT 0.9166
77 ODK 0.9163
78 1L5 0.9160
79 1F1 0.9159
80 X48 0.9159
81 LR8 0.9159
82 BQ2 0.9155
83 92G 0.9153
84 VM1 0.9152
85 I3E 0.9152
86 3A9 0.9149
87 BP7 0.9148
88 HNT 0.9146
89 SNO 0.9145
90 F4K 0.9145
91 MSR 0.9145
92 4NP 0.9138
93 0ON 0.9130
94 PH3 0.9129
95 DZA 0.9128
96 657 0.9127
97 EWG 0.9127
98 JAW 0.9126
99 2ZM 0.9126
100 P9E 0.9124
101 CPZ 0.9123
102 JB8 0.9118
103 0UL 0.9118
104 SLS 0.9115
105 3NY 0.9113
106 EE8 0.9112
107 4V2 0.9112
108 4MB 0.9109
109 4BL 0.9106
110 M4E 0.9103
111 OA1 0.9102
112 OHJ 0.9100
113 A7N 0.9100
114 5GT 0.9098
115 30G 0.9097
116 AJG 0.9097
117 RKV 0.9097
118 NK5 0.9089
119 FF2 0.9089
120 68B 0.9085
121 N9J 0.9085
122 0HN 0.9081
123 YZ9 0.9080
124 PNP 0.9080
125 JDN 0.9077
126 M6Z 0.9076
127 0NX 0.9076
128 6N4 0.9076
129 E1T 0.9076
130 J38 0.9074
131 1EB 0.9072
132 IAC 0.9071
133 M5H 0.9069
134 4NB 0.9069
135 UA5 0.9069
136 ICB 0.9068
137 6L6 0.9066
138 SNU 0.9065
139 3VW 0.9064
140 4BY 0.9064
141 80G 0.9064
142 D2G 0.9062
143 15N 0.9062
144 YZM 0.9056
145 MVH 0.9055
146 3ZB 0.9052
147 C82 0.9051
148 TJM 0.9050
149 2O8 0.9049
150 2JX 0.9047
151 S7S 0.9046
152 LQ2 0.9045
153 DHC 0.9044
154 OLU 0.9041
155 OQC 0.9041
156 1A5 0.9040
157 650 0.9039
158 SSC 0.9039
159 9ZE 0.9038
160 47V 0.9038
161 795 0.9033
162 2O6 0.9032
163 0HO 0.9032
164 88L 0.9032
165 SKF 0.9031
166 1VK 0.9031
167 LEL 0.9029
168 TYL 0.9028
169 H4B 0.9026
170 L03 0.9024
171 VFG 0.9023
172 GZ2 0.9022
173 X0U 0.9021
174 K4V 0.9018
175 6FG 0.9017
176 BIO 0.9017
177 J6W 0.9017
178 2HU 0.9015
179 IQ5 0.9015
180 H4E 0.9014
181 BIK 0.9014
182 JAH 0.9014
183 5F8 0.9012
184 AKG 0.9008
185 NF3 0.9007
186 6SD 0.9006
187 HC4 0.9006
188 C1M 0.9005
189 6FZ 0.9004
190 5C1 0.9003
191 5XB 0.9002
192 MKN 0.9002
193 IOS 0.9002
194 SWX 0.9001
195 4CM 0.8998
196 BZ2 0.8997
197 BZQ 0.8996
198 6FB 0.8996
199 K82 0.8995
200 E1P 0.8995
201 ABI 0.8995
202 5F5 0.8994
203 4AU 0.8991
204 92P 0.8990
205 OGA 0.8990
206 TXW 0.8990
207 A5E 0.8990
208 4NS 0.8989
209 PPY 0.8988
210 D25 0.8988
211 QBP 0.8988
212 FZM 0.8986
213 AMR 0.8986
214 LL1 0.8986
215 HBI 0.8983
216 7MX 0.8983
217 ESX 0.8981
218 8NB 0.8981
219 RSV 0.8981
220 DVQ 0.8981
221 SOR 0.8980
222 ZEC 0.8979
223 36Y 0.8979
224 C2Y 0.8978
225 TYR 0.8978
226 WA1 0.8978
227 XEN 0.8975
228 6MW 0.8975
229 CXH 0.8975
230 PNZ 0.8973
231 27K 0.8973
232 S0A 0.8972
233 PUE 0.8972
234 LO1 0.8971
235 BZJ 0.8971
236 J1K 0.8971
237 SRO 0.8970
238 5VU 0.8970
239 ANN 0.8969
240 GLY GLY GLY 0.8967
241 D3G 0.8965
242 TCR 0.8965
243 LNR 0.8963
244 1QP 0.8962
245 P7V 0.8960
246 ENW 0.8960
247 D1G 0.8960
248 ZSP 0.8960
249 4WL 0.8958
250 EV2 0.8957
251 9FH 0.8953
252 5TT 0.8953
253 6P3 0.8952
254 E4P 0.8951
255 5TZ 0.8949
256 CK2 0.8948
257 GB5 0.8946
258 P81 0.8946
259 5GV 0.8946
260 78Y 0.8945
261 4NM 0.8944
262 U7E 0.8940
263 3W8 0.8939
264 DRG 0.8939
265 4FF 0.8939
266 6C4 0.8937
267 6C5 0.8937
268 F02 0.8937
269 IWT 0.8936
270 CSN 0.8935
271 MD6 0.8935
272 HQJ 0.8935
273 FCD 0.8934
274 4LW 0.8931
275 CKA 0.8931
276 A9B 0.8931
277 2FY 0.8930
278 3W6 0.8930
279 3W3 0.8930
280 TID 0.8929
281 49P 0.8928
282 8G0 0.8927
283 MS9 0.8927
284 PIQ 0.8926
285 AN3 0.8925
286 EYV 0.8925
287 N7I 0.8924
288 S7D 0.8923
289 R20 0.8921
290 FHV 0.8919
291 12T 0.8919
292 BL0 0.8918
293 28A 0.8917
294 8ZE 0.8917
295 PRL 0.8916
296 6C8 0.8914
297 BPN 0.8914
298 2HC 0.8913
299 6ZX 0.8912
300 GJP 0.8911
301 FUD 0.8911
302 EVF 0.8911
303 VXX 0.8910
304 P93 0.8910
305 TCA 0.8910
306 ARG 0.8908
307 2PV 0.8907
308 JMG 0.8905
309 C53 0.8905
310 5XC 0.8904
311 DEW 0.8904
312 2D2 0.8904
313 FYR 0.8904
314 H75 0.8903
315 L14 0.8902
316 2J3 0.8901
317 TRP 0.8900
318 0SY 0.8899
319 AHN 0.8899
320 1OS 0.8898
321 NAG 0.8897
322 N0Z 0.8897
323 GLO 0.8897
324 AVA 0.8895
325 FHC 0.8894
326 2P3 0.8894
327 NFZ 0.8894
328 IOP 0.8894
329 5SJ 0.8893
330 I2E 0.8893
331 5FL 0.8893
332 7UC 0.8892
333 ENV 0.8892
334 TZF 0.8892
335 9BF 0.8890
336 2BX 0.8890
337 S2G 0.8889
338 3QV 0.8889
339 5E5 0.8889
340 EYJ 0.8889
341 2K8 0.8885
342 E7S 0.8884
343 6C9 0.8884
344 2PK 0.8884
345 K97 0.8883
346 549 0.8883
347 5RP 0.8881
348 AMH 0.8880
349 60L 0.8880
350 1ZC 0.8880
351 5TY 0.8878
352 4ZA 0.8878
353 ITE 0.8875
354 4CN 0.8874
355 MNP 0.8872
356 7MU 0.8872
357 GLN 0.8872
358 XDK 0.8870
359 0DF 0.8870
360 RYV 0.8870
361 NY4 0.8870
362 LGT 0.8869
363 EUH 0.8869
364 BVA 0.8868
365 GOE 0.8868
366 3R4 0.8868
367 HRM 0.8868
368 7AP 0.8867
369 A5H 0.8867
370 FQX 0.8867
371 ET0 0.8866
372 9UL 0.8864
373 5O6 0.8864
374 1XS 0.8864
375 AOT 0.8863
376 SDD 0.8862
377 5B2 0.8862
378 8D6 0.8860
379 1A7 0.8860
380 DA4 0.8859
381 ENO 0.8859
382 9CA 0.8858
383 4JE 0.8858
384 PRO GLY 0.8857
385 5DS 0.8857
386 492 0.8857
387 4AB 0.8857
388 NPX 0.8856
389 ONR 0.8855
390 3SU 0.8854
391 AM4 0.8854
392 N2I 0.8854
393 ZRK 0.8853
394 KTW 0.8850
395 5SP 0.8849
396 4XF 0.8848
397 FBF 0.8848
398 HHS 0.8847
399 259 0.8846
400 MZM 0.8846
401 JP2 0.8845
402 ODO 0.8845
403 YI6 0.8843
404 Z13 0.8842
405 0K7 0.8841
406 UN1 0.8841
407 20N 0.8840
408 1OT 0.8839
409 2LW 0.8838
410 YE7 0.8837
411 MS0 0.8836
412 1IT 0.8835
413 4BX 0.8835
414 0LO 0.8835
415 L1T 0.8834
416 NPS 0.8831
417 GLU 0.8831
418 5TO 0.8830
419 P80 0.8830
420 8WO 0.8828
421 AJY 0.8828
422 WV7 0.8827
423 A5P 0.8826
424 H2B 0.8825
425 3XH 0.8825
426 M4S 0.8824
427 PO6 0.8824
428 OVM 0.8823
429 TAG 0.8822
430 2HG 0.8822
431 1HN 0.8821
432 4JC 0.8820
433 CIR 0.8820
434 GRQ 0.8820
435 LXP 0.8820
436 4BZ 0.8816
437 L15 0.8816
438 3AE 0.8816
439 K3D 0.8816
440 ALE 0.8815
441 TYE 0.8815
442 XDE 0.8815
443 ICO 0.8814
444 HAR 0.8814
445 EGV 0.8814
446 ESP 0.8813
447 8YH 0.8812
448 S7J 0.8812
449 FZ0 0.8812
450 LPK 0.8812
451 EN1 0.8811
452 M5E 0.8810
453 II4 0.8810
454 GGB 0.8809
455 5OB 0.8809
456 ZYX 0.8809
457 61M 0.8809
458 NDD 0.8808
459 3MB 0.8808
460 4NZ 0.8807
461 OVP 0.8806
462 LVD 0.8805
463 D8Q 0.8805
464 2J1 0.8804
465 4Z9 0.8804
466 4TU 0.8803
467 5DL 0.8803
468 5OO 0.8802
469 27B 0.8800
470 15E 0.8799
471 BZ3 0.8799
472 CIY 0.8799
473 VFJ 0.8799
474 7EH 0.8799
475 OCA 0.8798
476 4FE 0.8797
477 L99 0.8796
478 9FL 0.8796
479 DXP 0.8794
480 4P5 0.8794
481 V1T 0.8794
482 5WK 0.8793
483 397 0.8792
484 TSR 0.8792
485 1DR 0.8791
486 7VP 0.8790
487 4RU 0.8789
488 KDV 0.8789
489 A3M 0.8788
490 VD9 0.8785
491 VFM 0.8785
492 OW4 0.8783
493 KDG 0.8782
494 ESI 0.8781
495 E5X 0.8781
496 7OD 0.8781
497 XIZ 0.8779
498 EYY 0.8779
499 BHS 0.8778
500 HX4 0.8777
501 DEZ 0.8774
502 R52 0.8774
503 R5P 0.8774
504 CFA 0.8773
505 0F3 0.8770
506 LIG 0.8770
507 A5Q 0.8769
508 EQW 0.8768
509 HDH 0.8768
510 T1N 0.8767
511 GO8 0.8767
512 8NX 0.8765
513 HNE 0.8765
514 NNH 0.8765
515 OOG 0.8765
516 833 0.8765
517 SZ7 0.8765
518 L5V 0.8764
519 KF5 0.8764
520 PKU 0.8764
521 4AV 0.8764
522 RCV 0.8764
523 S60 0.8763
524 36E 0.8763
525 HPO 0.8761
526 LR5 0.8761
527 JSX 0.8759
528 A7Q 0.8759
529 ZYQ 0.8758
530 RA7 0.8758
531 TX4 0.8756
532 0FK 0.8754
533 ERZ 0.8753
534 CH9 0.8753
535 0OY 0.8752
536 ZHA 0.8749
537 EZL 0.8748
538 ANF 0.8748
539 YPN 0.8747
540 LDP 0.8746
541 5LD 0.8744
542 J9N 0.8743
543 XOG 0.8742
544 TT4 0.8742
545 AWE 0.8742
546 3EB 0.8741
547 XRS 0.8741
548 X6W 0.8741
549 2GQ 0.8740
550 KYA 0.8739
551 4JK 0.8739
552 AEH 0.8739
553 2LY 0.8737
554 86L 0.8736
555 2JK 0.8735
556 FER 0.8735
557 2BG 0.8735
558 CBE 0.8735
559 BOQ 0.8735
560 0FR 0.8735
561 ANC 0.8735
562 6QF 0.8734
563 XRX 0.8734
564 X6P 0.8733
565 M1T 0.8733
566 PHE 0.8732
567 XIY 0.8732
568 11X 0.8731
569 KMH 0.8730
570 AG2 0.8728
571 BNL 0.8727
572 HXY 0.8726
573 MQN 0.8726
574 BGU 0.8725
575 CS2 0.8724
576 42J 0.8723
577 THA 0.8721
578 GB4 0.8721
579 S7A 0.8720
580 0OK 0.8719
581 LYS 0.8719
582 PPT 0.8718
583 DTR 0.8718
584 3BU 0.8717
585 PTB 0.8717
586 SOJ 0.8717
587 9JT 0.8715
588 4FC 0.8715
589 QME 0.8715
590 PEY 0.8714
591 Q4G 0.8712
592 1PS 0.8711
593 AA 0.8710
594 FT6 0.8708
595 S0W 0.8707
596 AOS 0.8705
597 Z70 0.8705
598 V2Z 0.8704
599 6XA 0.8701
600 EQA 0.8701
601 TFM 0.8701
602 J4K 0.8700
603 NDG 0.8700
604 EXD 0.8699
605 REL 0.8699
606 FCW 0.8699
607 GWM 0.8699
608 0BP 0.8698
609 KYN 0.8697
610 GLR 0.8696
611 WT2 0.8695
612 FIX 0.8695
613 HPP 0.8694
614 92O 0.8693
615 3XR 0.8691
616 1AJ 0.8689
617 1M2 0.8688
618 P4T 0.8687
619 SJK 0.8685
620 1H1 0.8685
621 4BF 0.8685
622 LFQ 0.8684
623 PJW 0.8684
624 N2M 0.8683
625 1BW 0.8683
626 1HR 0.8682
627 H7Y 0.8682
628 9KZ 0.8679
629 JGB 0.8678
630 K7H 0.8678
631 PSJ 0.8677
632 DAH 0.8676
633 8V8 0.8676
634 FMQ 0.8675
635 TYC 0.8675
636 MTL 0.8671
637 4FP 0.8671
638 KBZ 0.8670
639 3KJ 0.8669
640 URO 0.8665
641 4TB 0.8665
642 QR2 0.8665
643 RES 0.8662
644 2F6 0.8662
645 CX4 0.8660
646 8HC 0.8659
647 S98 0.8658
648 MPV 0.8657
649 F9Y 0.8655
650 SYE 0.8650
651 M45 0.8649
652 64Z 0.8649
653 HBO 0.8649
654 F63 0.8648
655 F40 0.8648
656 4JQ 0.8647
657 GJK 0.8647
658 2WU 0.8647
659 PFF 0.8646
660 IS2 0.8645
661 4YO 0.8645
662 JA8 0.8645
663 DK1 0.8644
664 4CF 0.8643
665 IPO 0.8642
666 L5D 0.8642
667 C0H 0.8642
668 VGD 0.8640
669 IQQ 0.8636
670 FC2 0.8635
671 EAE 0.8635
672 AVO 0.8632
673 D9Z 0.8631
674 B21 0.8630
675 TGX 0.8628
676 K2T 0.8628
677 DER 0.8626
678 EES 0.8626
679 0TU 0.8625
680 RQD 0.8625
681 EZ1 0.8625
682 4UM 0.8624
683 ARP 0.8624
684 DTY 0.8623
685 HIC 0.8623
686 DHR 0.8623
687 463 0.8621
688 2QU 0.8621
689 C4E 0.8619
690 JGY 0.8619
691 X1R 0.8619
692 CK1 0.8616
693 4TP 0.8615
694 ES2 0.8614
695 KWB 0.8610
696 4G2 0.8608
697 5RO 0.8608
698 CUQ 0.8605
699 14W 0.8604
700 FBB 0.8603
701 5VM 0.8602
702 DJN 0.8601
703 4VY 0.8597
704 MLY 0.8596
705 NFM 0.8596
706 344 0.8595
707 QBM 0.8595
708 3DE 0.8592
709 3C5 0.8592
710 AUV 0.8590
711 VGS 0.8587
712 KW7 0.8585
713 3YP 0.8584
714 K80 0.8583
715 AEF 0.8581
716 SN4 0.8581
717 1V3 0.8579
718 68A 0.8578
719 5RN 0.8576
720 BSU 0.8576
721 36R 0.8573
722 LJ3 0.8571
723 39Z 0.8569
724 0W1 0.8567
725 JZA 0.8565
726 FDR 0.8563
727 YRL 0.8561
728 1AE 0.8560
729 2HQ 0.8559
730 0XR 0.8557
731 6RQ 0.8556
732 J9T 0.8556
733 5WN 0.8555
734 GVA 0.8555
735 GUA 0.8553
736 PQK 0.8547
737 4Z3 0.8544
738 CLW 0.8542
739 MUX 0.8539
740 KLV 0.8530
741 HCI 0.8525
742 RDV 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FGL; Ligand: UO1; 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: 6fgl.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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