BioLiP

PDB

BioLiP

PDB CCD ID:

YQF

Number of entries in BioLiP:

Chemical formula:

C15 H17 F4 N O

InChI:

InChI=1S/C15H17F4NO/c16-13-3-1-11(2-4-13)12-6-9-20(10-7-12)14(21)5-8-15(17,18)19/h1-4,12H,5-10H2

InChIKey:

ITAKDOUYMNISSA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(cc1)C2CCN(CC2)C(=O)CCC(F)(F)F
OpenEye OEToolkits 2.0.7	c1cc(ccc1C2CCN(CC2)C(=O)CCC(F)(F)F)F

Name:

4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one

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).