BioLiP

PDB

BioLiP

PDB CCD ID:

RZ7

Number of entries in BioLiP:

Chemical formula:

C13 H9 F11 N2 O3 S

InChI:

InChI=1S/C13H9F11N2O3S/c14-9(15,10(16,17)11(18,19)12(20,21)13(22,23)24)5-26-8(27)6-1-3-7(4-2-6)30(25,28)29/h1-4H,5H2,(H,26,27)(H2,25,28,29)

InChIKey:

UNQYCDLUSWEEGH-UHFFFAOYSA-N

SMILES:

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

Name:

4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide

ZINC:

ZINC000095920737

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).