BioLiP

PDB

BioLiP

PDB CCD ID:

E45

Number of entries in BioLiP:

Chemical formula:

C5 H9 N3 S

InChI:

InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)

InChIKey:

LSGLMPMOLFSULL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)c1nsc(N)n1
OpenEye OEToolkits 2.0.7	CC(C)c1nc(sn1)N

Name:

3-propan-2-yl-1,2,4-thiadiazol-5-amine

ZINC:

ZINC000002506755

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).