BioLiP

PDB

BioLiP

PDB CCD ID:

U9Z

Number of entries in BioLiP:

Chemical formula:

C14 H17 F3 N2 O

InChI:

InChI=1S/C14H17F3N2O/c1-10-6-8-19(9-7-10)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)

InChIKey:

GSJUDFGKALFBQN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F

Name:

4-methyl-~{N}-[4-(trifluoromethyl)phenyl]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).