BioLiP

PDB

BioLiP

PDB CCD ID:

60J

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2 S2

InChI:

InChI=1S/C10H10N2O2S2/c11-10-12-8(9(13)14)7(16-10)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H2,11,12)(H,13,14)

InChIKey:

SUXXXFYCNZRVEM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1sc(CCc2sccc2)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(sc1)CCc2c(nc(s2)N)C(=O)O

Name:

2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid

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).