BioLiP

PDB

BioLiP

PDB CCD ID:

GQA

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O S

InChI:

InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3

InChIKey:

SQEXIHSVVCJZTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C=CC=C(O)C1=S
OpenEye OEToolkits 2.0.6	CN1C=CC=C(C1=S)O

Name:

1-methyl-3-oxidanyl-pyridine-2-thione

ChEMBL:

CHEMBL1650621

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).