BioLiP

PDB

BioLiP

PDB CCD ID:

2XG

Number of entries in BioLiP:

Chemical formula:

C6 H4 F2 S

InChI:

InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

InChIKey:

BGVRHDQMTMPAEZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	Fc1ccc(S)cc1F
OpenEye OEToolkits 1.7.6	c1cc(c(cc1S)F)F

Name:

3,4-difluorobenzenethiol

ZINC:

ZINC000000404111

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).