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BioLiP

PDB CCD ID: VAP
Number of entries in BioLiP: 4
Chemical formula: C14 H17 N O4
InChI: InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)12-9(8)7-10(17-3)13(18-4)14(12)19-5/h6-7H,1-5H3
InChIKey: QKOJIFYKROBOKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COc1cc2C(=CC(=O)N(C)c2c(OC)c1OC)C
OpenEye OEToolkits 1.7.0CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C
ACDLabs 12.01O=C2C=C(c1c(c(OC)c(OC)c(OC)c1)N2C)C
Name:6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
ChEMBL: CHEMBL492382
ZINC: ZINC000040423541
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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