SEQ2FUN

BioLiP

PDB CCD ID: RZW
Number of entries in BioLiP: 6
Chemical formula: C14 H17 N O4
InChI: InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3
InChIKey: PJUNWPXRLZUYPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2C)C
CACTVS 3.370COc1cc(OC)c2N(C)C(=O)C=C(C)c2c1OC
OpenEye OEToolkits 1.7.0CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C
Name:5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
ChEMBL: CHEMBL449065
ZINC: ZINC000040829644
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).