BioLiP

PDB

BioLiP

PDB CCD ID:

F2Z

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O3

InChI:

InChI=1S/C11H13NO3/c1-14-9-3-7-5-11(13)12-6-8(7)4-10(9)15-2/h3-4H,5-6H2,1-2H3,(H,12,13)

InChIKey:

FRBTVJSVXIIDIG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1cc2c(cc1OC)CNC(=O)C2
CACTVS 3.385	COc1cc2CNC(=O)Cc2cc1OC

Name:

6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one

ZINC:

ZINC000005208833

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).