SEQ2FUN

BioLiP

PDB CCD ID: VVV
Number of entries in BioLiP: 4
Chemical formula: C13 H15 N O4
InChI: InChI=1S/C13H15NO4/c1-7-5-10(15)14-12-8(16-2)6-9(17-3)13(18-4)11(7)12/h5-6H,1-4H3,(H,14,15)
InChIKey: YRUICGVVPDTGCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC
CACTVS 3.370COc1cc(OC)c(OC)c2C(=CC(=O)Nc12)C
ACDLabs 12.01O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2)C
Name:5,6,8-trimethoxy-4-methylquinolin-2(1H)-one
ChEMBL: CHEMBL493181
ZINC: ZINC000040957356
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).