SEQ2FUN

BioLiP

PDB CCD ID: YTR
Number of entries in BioLiP: 4
Chemical formula: C13 H15 N O3
InChI: InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)12-9(8)5-6-10(16-3)13(12)17-4/h5-7H,1-4H3
InChIKey: DHJBSOKLGMWDBA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1=CC(=O)N(c2c1ccc(c2OC)OC)C
CACTVS 3.370COc1ccc2C(=CC(=O)N(C)c2c1OC)C
ACDLabs 12.01O=C2C=C(c1c(c(OC)c(OC)cc1)N2C)C
Name:7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
ChEMBL: CHEMBL453233
ZINC: ZINC000040846176
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).