Structure of PDB 5cq7 Chain A Binding Site BS01

Receptor Information
>5cq7 Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVI
KKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGH
NMRKYFEKKWTDTFK
Ligand information
Ligand ID53G
InChIInChI=1S/C11H11N3O/c1-14(2)11(15)8-3-4-9-10(7-8)13-6-5-12-9/h3-7H,1-2H3
InChIKeyHQOVESVNZPVFDO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)C(=O)c1ccc2nccnc2c1
OpenEye OEToolkits 1.9.2CN(C)C(=O)c1ccc2c(c1)nccn2
ACDLabs 12.01n1ccnc2ccc(cc12)C(=O)N(C)C
FormulaC11 H11 N3 O
NameN,N-dimethylquinoxaline-6-carboxamide
ChEMBL
DrugBank
ZINCZINC000013466583
PDB chain5cq7 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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PDB5cq7 Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with N,N-dimethylquinoxaline-6-carboxamide (SGC - Diamond I04-1 fragment screening)
Resolution1.86 Å
Binding residue
(original residue number in PDB)		P1888 V1898 N1944
Binding residue
(residue number reindexed from 1)		P33 V43 N89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5cq7, PDBe:5cq7, PDBj:5cq7
PDBsum5cq7
PubMed
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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