Structure of PDB 8dd2 Chain D Binding Site BS03

Receptor Information
>8dd2 Chain D (length=338) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDME
YTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVA
HNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGS
YAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGE
YVVMTTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFG
VTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNY
FTKSQPARAAKIDRLSRIAFPLLFGIFNLVYWATYLNR
Ligand information
Ligand IDR5R
InChIInChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
InChIKeyZAFYATHCZYHLPB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C
CACTVS 3.385CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3
ACDLabs 12.01CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c1ccc(C)cc1
FormulaC19 H21 N3 O
NameZolpidem
ChEMBLCHEMBL911
DrugBankDB00425
ZINCZINC000000003876
PDB chain8dd2 Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dd2 Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H102 S205 Y210
Binding residue
(residue number reindexed from 1)		H93 S196 Y201
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0004890 GABA-A receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Cellular Component
External links
PDB RCSB:8dd2, PDBe:8dd2, PDBj:8dd2
PDBsum8dd2
PubMed35933426
UniProtP14867|GBRA1_HUMAN Gamma-aminobutyric acid receptor subunit alpha-1 (Gene Name=GABRA1)

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