BioLiP

PDB

BioLiP

PDB CCD ID:

3KN

Number of entries in BioLiP:

Chemical formula:

C7 H7 N5 S

InChI:

InChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12)

InChIKey:

MNHIQWZHQXNGMA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2cc(c1nnc(s1)N)c(N)cc2
OpenEye OEToolkits 1.9.2	c1cncc(c1N)c2nnc(s2)N
CACTVS 3.385	Nc1sc(nn1)c2cnccc2N

Name:

3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine

ChEMBL:

CHEMBL1650277

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).