BioLiP

PDB

BioLiP

PDB CCD ID:

K34

Number of entries in BioLiP:

Chemical formula:

C5 H4 N4 S

InChI:

InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9)

InChIKey:

WFEGFRJBAYCOHP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1csc(n1)c2[nH]ncn2
ACDLabs 12.01	n1c(ncn1)c2nccs2
CACTVS 3.385	[nH]1ncnc1c2sccn2

Name:

5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole

ZINC:

ZINC000061844368

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).