SEQ2FUN

BioLiP

PDB CCD ID: EWQ
Number of entries in BioLiP: 4
Chemical formula: C13 H15 N O3
InChI: InChI=1S/C13H15NO3/c1-8-5-12(15)14(2)13-10(8)6-9(16-3)7-11(13)17-4/h5-7H,1-4H3
InChIKey: BYYQQWLTZFBHIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2C=C(c1c(c(OC)cc(OC)c1)N2C)C
CACTVS 3.370COc1cc(OC)c2N(C)C(=O)C=C(C)c2c1
OpenEye OEToolkits 1.7.0CC1=CC(=O)N(c2c1cc(cc2OC)OC)C
Name:6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
ChEMBL: CHEMBL493173
ZINC: ZINC000040955907
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).