BioLiP

PDB

BioLiP

PDB CCD ID:

YP2

Number of entries in BioLiP:

Chemical formula:

C11 H7 N O6

InChI:

InChI=1S/C11H7NO6/c13-8(14)4-12-9(15)6-2-1-5(11(17)18)3-7(6)10(12)16/h1-3H,4H2,(H,13,14)(H,17,18)

InChIKey:

RPFFHROJAGNUIW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CC(=O)O
CACTVS 3.385	OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(O)=O

Name:

2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-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).