BioLiP

PDB

BioLiP

PDB CCD ID:

RYZ

Number of entries in BioLiP:

Chemical formula:

C11 H9 F7 N2 O3 S

InChI:

InChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)5-20-8(21)6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)

InChIKey:

NITAUHAUSHVTPT-UHFFFAOYSA-N

SMILES:

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

Name:

N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide

ChEMBL:

CHEMBL309012

ZINC:

ZINC000013603129

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).