BioLiP

PDB

BioLiP

PDB CCD ID:

VAP

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.370	COc1cc2C(=CC(=O)N(C)c2c(OC)c1OC)C
OpenEye OEToolkits 1.7.0	CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C
ACDLabs 12.01	O=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, 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).