BioLiP

PDB

BioLiP

PDB CCD ID:

PY2

Number of entries in BioLiP:

Chemical formula:

C6 H7 N S

InChI:

InChI=1S/C6H7NS/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2

InChIKey:

MBXKCLHOVPXMCJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(cnc1)CS
ACDLabs 10.04 CACTVS 3.341	SCc1cccnc1

Name:

3-(MERCAPTOMETHYLENE)PYRIDINE

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).