SEQ2FUN

BioLiP

PDB CCD ID: 0TU
Number of entries in BioLiP: 1
Chemical formula: C9 H6 Cl N O
InChI: InChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChIKey: OJEBWFGRUPIVSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc2ccc1c(C=CC(=O)N1)c2
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)C=CC(=O)N2
CACTVS 3.385Clc1ccc2NC(=O)C=Cc2c1
Name:6-chloroquinolin-2(1H)-one
ChEMBL: CHEMBL3929492
ZINC: ZINC000012959363
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).