BioLiP

PDB

BioLiP

PDB CCD ID:

UAB

Number of entries in BioLiP:

Chemical formula:

C17 H26 N2 O

InChI:

InChI=1S/C17H26N2O/c1-15-10-13-19(14-11-15)17(20)18-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,18,20)

InChIKey:

DHSRHSOXWFKTLE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)NCCCCc2ccccc2

Name:

4-methyl-~{N}-(4-phenylbutyl)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).