BioLiP

PDB

BioLiP

PDB CCD ID:

RYJ

Number of entries in BioLiP:

Chemical formula:

C9 H9 F3 N2 O3 S

InChI:

InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-14-8(15)6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H,14,15)(H2,13,16,17)

InChIKey:

QTBXXSHAPCGITL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N
CACTVS 3.370	N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F
ACDLabs 12.01	O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1

Name:

4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

ChEMBL:

CHEMBL451234

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).