BioLiP

PDB

BioLiP

PDB CCD ID:

IQD

Number of entries in BioLiP:

Chemical formula:

C9 H7 N O2

InChI:

InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,5,11H,4H2

InChIKey:

CZNCPDOFCRAVBO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C2N=CCc1c2cccc1O
OpenEye OEToolkits 1.9.2	c1cc2c(c(c1)O)CC=NC2=O
CACTVS 3.385	Oc1cccc2C(=O)N=CCc12

Name:

5-hydroxyisoquinolin-1(4H)-one

ZINC:

ZINC000114672868

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).