Structure of PDB 8dd2 Chain A Binding Site BS01

Receptor Information
>8dd2 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 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 A Residue 402 [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)		T262 N265 D282 M286 F289
Binding residue
(residue number reindexed from 1)		T256 N259 D276 M280 F283
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8dd2, PDBe:8dd2, PDBj:8dd2
PDBsum8dd2
PubMed35933426
UniProtP47870|GBRB2_HUMAN Gamma-aminobutyric acid receptor subunit beta-2 (Gene Name=GABRB2)

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