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- ChemComp-KK0: (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: KK0
NameName: (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one

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Chemical information

Composition
Formula: C10H10ClNO / Number of atoms: 23 / Formula weight: 195.645 / Formal charge: 0
Others

7zzs

Type: non-polymer / PDB classification: HETAIN / Three letter code: KK0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ZZS
History
Create componentMay 26, 2022
Modify descriptorAug 22, 2022
Initial releaseSep 21, 2022
External linksUniChem / ChemSpider / PubChem / 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

CACTVS 3.385Clc1ccc(cc1)[CH]2CCC(=O)N2
OpenEye OEToolkits 2.0.7c1cc(ccc1C2CCC(=O)N2)Cl

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SMILES CANONICAL

CACTVS 3.385Clc1ccc(cc1)[C@@H]2CCC(=O)N2
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@@H]2CCC(=O)N2)Cl

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InChI

InChI 1.06InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1

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InChIKey

InChI 1.06BSYBLMDNOUEPRW-VIFPVBQESA-N

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PDB entries

Showing all 1 items

PDB-7zzs:
HDAC2 complexed with an inhibitory ligand

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