BioLiP

PDB

BioLiP

PDB CCD ID:

O68

Number of entries in BioLiP:

Chemical formula:

C10 H12 F N O S

InChI:

InChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3

InChIKey:

PZXKCJSSRWHWDL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(CCS)C(=O)c1ccc(cc1)F
CACTVS 3.385	CN(CCS)C(=O)c1ccc(F)cc1

Name:

4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

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).