BioLiP

PDB

BioLiP

PDB CCD ID:

A1IHZ

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3 S

InChI:

InChI=1S/C6H7N3S/c7-5(8)4-2-1-3-9-6(4)10/h1-3H,(H3,7,8)(H,9,10)

InChIKey:

FTOVQFYPEHJLCN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1cccnc1S)/N
CACTVS 3.385	NC(=N)c1cccnc1S
OpenEye OEToolkits 2.0.7	c1cc(c(nc1)S)C(=N)N

Name:

2-sulfanylpyridine-3-carboximidamide

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).