BioLiP

PDB

BioLiP

PDB CCD ID:

V8Q

Number of entries in BioLiP:

Chemical formula:

C4 H5 N3 O S

InChI:

InChI=1S/C4H5N3OS/c1-2-3(9)5-4(8)7-6-2/h1H3,(H2,5,7,8,9)

InChIKey:

FGZQRZAHVJVJGF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=NNC(=O)NC1=S

Name:

6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one;
6-Methyl-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one;
1383425

ZINC:

ZINC000001237630

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).