BioLiP

PDB

BioLiP

PDB CCD ID:

9DY

Number of entries in BioLiP:

Chemical formula:

C7 H5 N3 S

InChI:

InChI=1S/C7H5N3S/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H

InChIKey:

CBBNSZNUEUONCU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(csnn1)c2ccncc2
CACTVS 3.385	s1cc(nn1)c2ccncc2
OpenEye OEToolkits 2.0.6	c1cnccc1c2csnn2

Name:

4-(1,2,3-thiadiazol-4-yl)pyridine

ZINC:

ZINC000001383115

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).