BioLiP

PDB

BioLiP

PDB CCD ID:

BV5

Number of entries in BioLiP:

Chemical formula:

C15 H19 F3 N2 O4 S

InChI:

InChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-3-1-2-4-13(12)25(22,23)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21)

InChIKey:

GEYPQDLUWKGWHC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)Oc1ccccc1[S](=O)(=O)NC(=O)CCC2CCNCC2
ACDLabs 12.01	FC(F)(F)Oc1ccccc1S(=O)(=O)NC(=O)CCC2CCNCC2
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2

Name:

3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE

ZINC:

ZINC000098208709

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).