Structure of PDB 8vqy Chain A Binding Site BS02

Receptor Information
>8vqy Chain A (length=334) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNMSLVKETVDRLLKGYDIRLRPDFGGPPVAVGMNIDIASIDMVSEVNMD
YTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDTYFLNDKKSFV
HGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIES
YGYTTDDIEFYWRGDDNAVTGVTKIELPQFSIVDYKLITKKVVFSTGSYP
RLSLSFKLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGIT
TVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFMALLEYALVNYIF
FSQPARAAAIDRWSRIFFPVVFSFFNIVYWLYYV
Ligand information
Ligand IDA1ADG
InChIInChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
InChIKeyJEYCTXHKTXCGPB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccccc1N2C(=Nc3ccccc3C2=O)C
ACDLabs 12.01Cc1ccccc1N1C(C)=Nc2ccccc2C1=O
FormulaC16 H14 N2 O
Name2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
ChEMBL
DrugBank
ZINC
PDB chain8vqy Chain A Residue 402 [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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PDB8vqy Structural insights into GABA A receptor potentiation by Quaalude.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		T262 N265 F289
Binding residue
(residue number reindexed from 1)		T256 N259 F283
Annotation score1
External links
PDB RCSB:8vqy, PDBe:8vqy, PDBj:8vqy
PDBsum8vqy
PubMed38898000
UniProtP47870|GBRB2_HUMAN Gamma-aminobutyric acid receptor subunit beta-2 (Gene Name=GABRB2)

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