BioLiP

PDB

BioLiP

PDB CCD ID:

A1IT7

Number of entries in BioLiP:

Chemical formula:

C5 H4 F N O S

InChI:

InChI=1S/C5H4FNOS/c6-4-1-2-7(8)5(9)3-4/h1-3,8H

InChIKey:

NGZXOBUWPMKLPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ON1C=CC(=CC1=S)F
OpenEye OEToolkits 2.0.7	C1=CN(C(=S)C=C1F)O

Name:

4-fluoranyl-1-oxidanyl-pyridine-2-thione;
4-fluoro-1-hydroxypyridine-2(1H)-thione

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).