BioLiP

PDB

BioLiP

PDB CCD ID:

KTM

Number of entries in BioLiP:

Chemical formula:

C15 H12 N2 O3

InChI:

InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20)

InChIKey:

LGIZVMOUWUZRKO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O
CACTVS 3.385	Oc1ccccc1CNc2cccc3C(=O)NC(=O)c23

Name:

4-{[(2-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).