2024-03-23_00000088
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ligand
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8K14
X-ray crystal structure of 18a in BRD4(1);
X-ray diffraction 1.28Å
Protein #1
141 residues (93% resolved)
Raw Sequence ...
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Canonical Sequence ...
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2
VFI
InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1
InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1
SMILES: Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4C(C)c5ccccc5)C
Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4C(C)c5ccccc5)C
Biounit #1
monomer
Download coordinates
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Model
Reference
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