BioLiP

PDB

BioLiP

PDB CCD ID:

VXP

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl N2 O3

InChI:

InChI=1S/C15H11ClN2O3/c16-9-4-8(5-10(19)6-9)7-17-12-3-1-2-11-13(12)15(21)18-14(11)20/h1-6,17,19H,7H2,(H,18,20,21)

InChIKey:

FVZAQJMHARITOQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O
CACTVS 3.385	Oc1cc(Cl)cc(CNc2cccc3C(=O)NC(=O)c23)c1
ACDLabs 12.01	c1c(cc(O)cc1CNc3cccc2C(NC(=O)c23)=O)Cl

Name:

4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

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).