BioLiP

PDB

BioLiP

PDB CCD ID:

SYZ

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O3 S

InChI:

InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)

InChIKey:

LNKJOLQQLIVVPE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O

Name:

N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide;
~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-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).