Structure of PDB 6fh7 Chain A Binding Site BS01

Receptor Information
>6fh7 Chain A (length=116) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVI
KKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGH
NMRKYFEKKWTDTFKV
Ligand information
Ligand IDEN2
InChIInChI=1S/C17H18FN3O3/c1-21-11-13(5-8-15(21)22)17(24)20-10-2-9-19-16(23)12-3-6-14(18)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyUZLNHXVIIXNLFM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(F)cc2
OpenEye OEToolkits 2.0.6CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F
FormulaC17 H18 F N3 O3
Name~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain6fh7 Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6fh7 Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		P1888 L1891 V1893 N1944 I1950
Binding residue
(residue number reindexed from 1)		P33 L36 V38 N89 I95
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.00,IC50>1000uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6fh7, PDBe:6fh7, PDBj:6fh7
PDBsum6fh7
PubMed29770599
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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