BioLiP

PDB

BioLiP

PDB CCD ID:

UJS

Number of entries in BioLiP:

Chemical formula:

C24 H16 N2 O3

InChI:

InChI=1S/C24H16N2O3/c27-22-10-9-16(23(28)25-12-17-5-1-2-6-18(17)13-25)11-21(22)24(29)26-14-19-7-3-4-8-20(19)15-26/h1-15,27H

InChIKey:

FQSLQNAXZJFWRX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c3(c(ccc(C(=O)n1cc2c(c1)cccc2)c3)O)C(=O)n4cc5c(c4)cccc5
CACTVS 3.385	Oc1ccc(cc1C(=O)n2cc3ccccc3c2)C(=O)n4cc5ccccc5c4
OpenEye OEToolkits 2.0.7	c1ccc2cn(cc2c1)C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O

Name:

(4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]

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).