BioLiP

PDB

BioLiP

PDB CCD ID:

9VT

Number of entries in BioLiP:

Chemical formula:

C10 H15 N5 S

InChI:

InChI=1S/C10H15N5S/c1-4-11-10-13-12-9(16-10)6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13)

InChIKey:

OGQQDXKQAWKFFF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCNc1nnc(s1)Cn2c(cc(n2)C)C
CACTVS 3.385	CCNc1sc(Cn2nc(C)cc2C)nn1

Name:

5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine

ZINC:

ZINC000002764917

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).