BioLiP

PDB

BioLiP

PDB CCD ID:

V99

Number of entries in BioLiP:

Chemical formula:

C6 H12 N4 S

InChI:

InChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3

InChIKey:

OXLLCDWVFPLRIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCc1nnc(n1N)SCC
ACDLabs 12.01 CACTVS 3.385	CCSc1nnc(CC)n1N

Name:

3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine

ZINC:

ZINC000004294077

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).