BioLiP

PDB

BioLiP

PDB CCD ID:

RYX

Number of entries in BioLiP:

Chemical formula:

C10 H9 F5 N2 O3 S

InChI:

InChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)5-17-8(18)6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20)

InChIKey:

XRWFNUPDTKOWTL-UHFFFAOYSA-N

SMILES:

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

Name:

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

ChEMBL:

CHEMBL75113

ZINC:

ZINC000013603126

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).