BioLiP

PDB

BioLiP

PDB CCD ID:

A1I21

Number of entries in BioLiP:

Chemical formula:

C10 H7 N O2

InChI:

InChI=1S/C10H7NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13)

InChIKey:

ADAHADRJWVCICR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2cnccc2cc1C(=O)O
CACTVS 3.385	OC(=O)c1ccc2cnccc2c1

Name:

isoquinoline-6-carboxylic acid

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).