2025-09-27_00000102|ligand|9IV5

BRD4 in complex with compound7; X-ray diffraction 1.59Å
Protein #1 127 residues (97% resolved)

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2 A1D95

InChI=1S/C22H22FN5O2/c1-12-19(13(2)28(3)27-12)18-7-15(30-10-14-8-29-9-14)6-17(20(18)23)16-4-5-24-22-21(16)25-11-26-22/h4-7,11,14H,8-10H2,1-3H3,(H,24,25,26)

Cc1c(c(n(n1)C)C)c2cc(cc(c2F)c3ccnc4c3[nH]cn4)OCC5COC5
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference