2026-09-19_00000053
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ligand
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22HA
The crystal structure of BRD4-BD1 in complex with inhibitor C2;
X-ray diffraction 2.10Å
Protein #1
125 residues (100% resolved)
Raw Sequence ...
MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTE
Canonical Sequence ...
MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTE
Non polymer #2
A1FFR
InChI=1S/C21H23ClN2O4/c1-12-16(7-8-18(12)25)24-17-6-4-13(10-15(17)22)21(26)23-14-5-9-19(27-2)20(11-14)28-3/h4-6,9-12,16,24H,7-8H2,1-3H3,(H,23,26)/t12-,16+/m0/s1
InChI=1S/C21H23ClN2O4/c1-12-16(7-8-18(12)25)24-17-6-4-13(10-15(17)22)21(26)23-14-5-9-19(27-2)20(11-14)28-3/h4-6,9-12,16,24H,7-8H2,1-3H3,(H,23,26)/t12-,16+/m0/s1
SMILES: C[C@H]1[C@@H](CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(c(c3)OC)OC
C[C@H]1[C@@H](CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(c(c3)OC)OC
Biounit #1
monomer
Download coordinates
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Model
Reference
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