BioLiP

PDB

BioLiP

PDB CCD ID:

A1LUZ

Number of entries in BioLiP:

Chemical formula:

C5 H3 N O4 S

InChI:

InChI=1S/C5H3NO4S/c7-3(8)1-2-4(9)6-5(10)11-2/h1H,(H,7,8)(H,6,9,10)

InChIKey:

GZMAUGAAAMRIDY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)\C=C\1SC(=O)NC\1=O
OpenEye OEToolkits 2.0.7	C(=C1C(=O)NC(=O)S1)C(=O)O
CACTVS 3.385	OC(=O)C=C1SC(=O)NC1=O

Name:

2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid

ChEMBL:

CHEMBL589186

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).