BioLiP

PDB

BioLiP

PDB CCD ID:

A1EE7

Number of entries in BioLiP:

Chemical formula:

C8 H10 F N O2 S

InChI:

InChI=1S/C8H10FNO2S/c1-2-10-13(11,12)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3

InChIKey:

OUDXCBMXYOHWOB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCNS(=O)(=O)c1ccc(cc1)F
CACTVS 3.385	CCN[S](=O)(=O)c1ccc(F)cc1

Name:

N-ethyl-4-fluoranyl-benzenesulfonamide;
MFCD01211991

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).