BioLiP

PDB

BioLiP

PDB CCD ID:

A1IR4

Number of entries in BioLiP:

Chemical formula:

C3 H3 N3 O S

InChI:

InChI=1S/C3H3N3OS/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)

InChIKey:

HZPZCLDCTLLJTF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(nc(nn1)S)O
CACTVS 3.385	Oc1cnnc(S)n1

Name:

3-sulfanyl-1,2,4-triazin-5-ol

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).