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- ChemComp-R5R: Zolpidem -

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Basic information

EntryDatabase: PDB chemical components / ID: R5R
NameName: Zolpidem
Commentmedication*YM

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Chemical information

Composition
Formula: C19H21N3O / Number of atoms: 44 / Formula weight: 307.39 / Formal charge: 0
Others

8dd2

Type: non-polymer / PDB classification: HETAIN / Three letter code: R5R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8DD2
History
Create componentJun 20, 2022
Initial releaseAug 17, 2022
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c1ccc(C)cc1
CACTVS 3.385CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C

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SMILES CANONICAL

CACTVS 3.385CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C

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InChI

InChI 1.06InChI=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

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InChIKey

InChI 1.06ZAFYATHCZYHLPB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,N-dimethyl-2-[(4S)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
OpenEye OEToolkits 2.0.7~{N},~{N}-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamide

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PDB entries

Showing all 4 items

PDB-8dd2:
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus Zolpidem

PDB-8g4n:
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroids

PDB-8g5g:
Native GABA-A receptor from the mouse brain, meta-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid

PDB-8g5h:
Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid

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