2026-06-06_00000238
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ligand
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9VCZ
The crystal structure of BRD4-BD1 in complex with inhibitor 39b;
X-ray diffraction 1.50Å
Protein #1
126 residues (100% resolved)
Raw Sequence ...
MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Canonical Sequence ...
MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2
A1ERJ
InChI=1S/C20H20ClN3O3/c1-12-17(9-10-19(12)25)24-18-8-5-14(11-16(18)21)23-20(26)22-13-3-6-15(27-2)7-4-13/h3-8,11,24H,9-10H2,1-2H3,(H2,22,23,26)
InChI=1S/C20H20ClN3O3/c1-12-17(9-10-19(12)25)24-18-8-5-14(11-16(18)21)23-20(26)22-13-3-6-15(27-2)7-4-13/h3-8,11,24H,9-10H2,1-2H3,(H2,22,23,26)
SMILES: CC1=C(CCC1=O)Nc2ccc(cc2Cl)NC(=O)Nc3ccc(cc3)OC
CC1=C(CCC1=O)Nc2ccc(cc2Cl)NC(=O)Nc3ccc(cc3)OC
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Model
Reference
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