BioLiP

PDB

BioLiP

PDB CCD ID:

9BE

Number of entries in BioLiP:

Chemical formula:

C8 H9 N S

InChI:

InChI=1S/C8H9NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)

InChIKey:

QAADZYUXQLUXFX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	S=CNCc1ccccc1
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CNC=S

Name:

N-benzylthioformamide

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).