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BioLiP

PDB CCD ID: MVN
Number of entries in BioLiP: 1
Chemical formula: C10 H8 Cl N O
InChI: InChI=1S/C10H8ClNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13)
InChIKey: VQMIYHVFVPSLGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=CC(=O)Nc2c1cc(cc2)Cl
ACDLabs 12.01Clc2ccc1c(C(=CC(=O)N1)C)c2
CACTVS 3.385CC1=CC(=O)Nc2ccc(Cl)cc12
Name:6-chloro-4-methyl-1H-quinolin-2-one
ChEMBL: CHEMBL1581299
ZINC: ZINC000008681117
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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