BioLiP

PDB

BioLiP

PDB CCD ID:

A1I5M

Number of entries in BioLiP:

Chemical formula:

C13 H15 F3 N2 O2

InChI:

InChI=1S/C13H15F3N2O2/c14-13(15,16)9-1-3-10(4-2-9)20-11-5-7-18(8-6-11)12(17)19/h1-4,11H,5-8H2,(H2,17,19)

InChIKey:

ZLLHXSBVRPNTML-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(F)(F)F)OC2CCN(CC2)C(=O)N
CACTVS 3.385	NC(=O)N1CCC(CC1)Oc2ccc(cc2)C(F)(F)F

Name:

4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide

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).