BioLiP

PDB

BioLiP

PDB CCD ID:

EBJ

Number of entries in BioLiP:

Chemical formula:

C2 H3 N3 S

InChI:

InChI=1S/C2H3N3S/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)

InChIKey:

LLCOQBODWBFTDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Sc1nnnc1
CACTVS 3.385	Sc1[nH]nnc1
OpenEye OEToolkits 2.0.6	c1c([nH]nn1)S

Name:

1H-1,2,3-triazole-5-thiol

ZINC:

ZINC000012405203

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).