BioLiP

PDB

BioLiP

PDB CCD ID:

3UG

Number of entries in BioLiP:

Chemical formula:

C11 H12 F4 N2 O2 S

InChI:

InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19)

InChIKey:

VVFJHOCIYNHEFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F
CACTVS 3.385	N[S](=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F
ACDLabs 12.01	O=S(=O)(N)c1c(F)c(F)c(c(F)c1F)N2CCCCC2

Name:

2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide

ChEMBL:

CHEMBL3797893

ZINC:

ZINC000263621146

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).