BioLiP

PDB

BioLiP

PDB CCD ID:

B4S

Number of entries in BioLiP:

Chemical formula:

C13 H9 F4 N O2 S

InChI:

InChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20)

InChIKey:

UEPKMFLFRNDVAW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N
ACDLabs 12.01	O=S(=O)(N)c2ccc(c1ccc(c(F)c1)C(F)(F)F)cc2
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)c2ccc(c(F)c2)C(F)(F)F

Name:

3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide

ChEMBL:

CHEMBL450994

ZINC:

ZINC000040836559

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).