BioLiP

PDB

BioLiP

PDB CCD ID:

SZN

Number of entries in BioLiP:

Chemical formula:

C14 H16 N2 O3

InChI:

InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)

InChIKey:

YVZULSNTKFDGEM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O

Name:

N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide;
~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide

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).