SEQ2FUN

BioLiP

PDB CCD ID: MQO
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O2
InChI: InChI=1S/C11H11NO2/c1-7-5-8-9(13)3-4-12-11(8)10(6-7)14-2/h3-6H,1-2H3,(H,12,13)
InChIKey: GGLHKVAEYHPPGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(C)cc2C(=O)C=CNc12
ACDLabs 12.01COc1cc(C)cc2C(C=CNc12)=O
OpenEye OEToolkits 2.0.6Cc1cc2c(c(c1)OC)NC=CC2=O
Name:8-methoxy-6-methylquinolin-4(1H)-one
ZINC: ZINC000000367581
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).