2025-03-08_00000062
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ligand
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8YMH
BRD4-BD1 in complex with 5-methyl-2-{[(2R)-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl}-7-(1-methylpyrazol-3-yl)furo[3,2-c]pyridin-4-one;
X-ray diffraction 1.04Å
Protein #1
128 residues (98% resolved)
Raw Sequence ...
GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Canonical Sequence ...
GSMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2
A1LZE
InChI=1S/C19H25N5O4S/c1-13-10-24(29(4,26)27)8-7-23(13)11-14-9-15-18(28-14)16(12-21(2)19(15)25)17-5-6-22(3)20-17/h5-6,9,12-13H,7-8,10-11H2,1-4H3/t13-/m1/s1
InChI=1S/C19H25N5O4S/c1-13-10-24(29(4,26)27)8-7-23(13)11-14-9-15-18(28-14)16(12-21(2)19(15)25)17-5-6-22(3)20-17/h5-6,9,12-13H,7-8,10-11H2,1-4H3/t13-/m1/s1
SMILES: C[C@@H]1CN(CCN1Cc2cc3c(o2)C(=CN(C3=O)C)c4ccn(n4)C)S(=O)(=O)C
C[C@@H]1CN(CCN1Cc2cc3c(o2)C(=CN(C3=O)C)c4ccn(n4)C)S(=O)(=O)C
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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