BioLiP

PDB

BioLiP

PDB CCD ID:

OWH

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 S

InChI:

InChI=1S/C7H8N2S/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)

InChIKey:

FDIVIVQWGKEWIT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNC(=S)c1cccnc1

Name:

~{N}-methylpyridine-3-carbothioamide

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).