BioLiP

PDB

BioLiP

PDB CCD ID:

KT7

Number of entries in BioLiP:

Chemical formula:

C8 H5 N O3

InChI:

InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12)

InChIKey:

NHXFINXXELODNV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc2C(=O)NC(=O)c2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)C(=O)NC2=O
ACDLabs 12.01	c1c(ccc2C(NC(c12)=O)=O)O

Name:

5-hydroxy-1H-isoindole-1,3(2H)-dione

ZINC:

ZINC000039017409

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).