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BioLiP

PDB CCD ID: A1BDA
Number of entries in BioLiP: 1
Chemical formula: C9 H7 Cl O
InChI: InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey: MEDSHTHCZIOVPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1Cl)CCC2=O
ACDLabs 14.52
CACTVS 3.385		Clc1ccc2C(=O)CCc2c1
Name:5-chloro-2,3-dihydro-1H-inden-1-one;
5-chloro-1-indanone
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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