BioLiP

PDB

BioLiP

PDB CCD ID:

35J

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 S

InChI:

InChI=1S/C7H8N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4,6H,5H2,(H,9,10)

InChIKey:

HIZAQBZIUYYGKR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	S=CNCc1cccnc1
OpenEye OEToolkits 1.9.2	c1cc(cnc1)CNC=S

Name:

N-(pyridin-3-ylmethyl)thioformamide

ZINC:

ZINC000147550509

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).