BioLiP

PDB

BioLiP

PDB CCD ID:

4H2

Number of entries in BioLiP:

Chemical formula:

C6 H7 N S

InChI:

InChI=1S/C6H7NS/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)

InChIKey:

KGYJCSZMSPBJFS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC1=CC(=S)NC=C1
ACDLabs 12.01	S=C1C=C(C=CN1)C

Name:

4-methylpyridine-2(1H)-thione

ZINC:

ZINC000014983130

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).