SEQ2FUN

BioLiP

PDB CCD ID: MZX
Number of entries in BioLiP: 8
Chemical formula: C12 H13 N O3
InChI: InChI=1S/C12H13NO3/c1-7-6-10(14)13-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3,(H,13,14)
InChIKey: BUHDAIGNGIXQJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2C=C(c1c(OC)ccc(OC)c1N2)C
CACTVS 3.370COc1ccc(OC)c2C(=CC(=O)Nc12)C
OpenEye OEToolkits 1.7.0CC1=CC(=O)Nc2c1c(ccc2OC)OC
Name:5,8-dimethoxy-4-methylquinolin-2(1H)-one
ChEMBL: CHEMBL493174
ZINC: ZINC000008817671
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).