SEQ2FUN

BioLiP

PDB CCD ID: A7B
Number of entries in BioLiP: 3
Chemical formula: C11 H11 N O2
InChI: InChI=1S/C11H11NO2/c1-7-6-10(13)12-11-8(7)4-3-5-9(11)14-2/h3-6H,1-2H3,(H,12,13)
InChIKey: WHZDFFGNQINQSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1=CC(=O)Nc2c1cccc2OC
CACTVS 3.370COc1cccc2C(=CC(=O)Nc12)C
ACDLabs 12.01O=C2C=C(c1c(c(OC)ccc1)N2)C
Name:8-methoxy-4-methylquinolin-2(1H)-one
ChEMBL: CHEMBL453417
ZINC: ZINC000016284037
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).