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BioLiP

PDB CCD ID: KK0
Number of entries in BioLiP: 3
Chemical formula: C10 H10 Cl N O
InChI: InChI=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
InChIKey: BSYBLMDNOUEPRW-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(cc1)[C@@H]2CCC(=O)N2
OpenEye OEToolkits 2.0.7c1cc(ccc1[C@@H]2CCC(=O)N2)Cl
CACTVS 3.385Clc1ccc(cc1)[CH]2CCC(=O)N2
OpenEye OEToolkits 2.0.7c1cc(ccc1C2CCC(=O)N2)Cl
Name:(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one
ZINC: ZINC000057937578
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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