BioLiP

PDB

BioLiP

PDB CCD ID:

OYI

Number of entries in BioLiP:

Chemical formula:

C11 H12 F N O2 S

InChI:

InChI=1S/C11H12FNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3

InChIKey:

IDNFWLDGQTXDHK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(CCS)C(=O)c1ccc(C=O)c(F)c1
OpenEye OEToolkits 3.1.0.0	CN(CCS)C(=O)c1ccc(c(c1)F)C=O

Name:

3-fluoranyl-4-methanoyl-~{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).