BioLiP

PDB

BioLiP

PDB CCD ID:

5ZU

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O2 S2

InChI:

InChI=1S/C9H8N2O2S2/c10-9-11-7(8(12)13)6(15-9)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11)(H,12,13)

InChIKey:

KALMSBPPQREWFB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1sc(Cc2sccc2)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(sc1)Cc2c(nc(s2)N)C(=O)O

Name:

2-azanyl-5-(thiophen-2-ylmethyl)-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).