BioLiP

PDB

BioLiP

PDB CCD ID:

HB3

Number of entries in BioLiP:

Chemical formula:

C4 H8 N4 S

InChI:

InChI=1S/C4H8N4S/c5-1-2-9-4-6-3-7-8-4/h3H,1-2,5H2,(H,6,7,8)

InChIKey:

VKHQZYSNDYRJDZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1nc([nH]n1)SCCN
CACTVS 3.385	NCCSc1[nH]ncn1

Name:

2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine

ZINC:

ZINC000011851223

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).