BioLiP

PDB

BioLiP

PDB CCD ID:

UAK

Number of entries in BioLiP:

Chemical formula:

C15 H22 N2 O

InChI:

InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)16-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,18)/t13-/m1/s1

InChIKey:

PSSJJOIQPKCPGY-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2
OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)NC(C)c2ccccc2
CACTVS 3.385	CC1CCN(CC1)C(=O)N[CH](C)c2ccccc2

Name:

4-methyl-~{N}-[(1~{R})-1-phenylethyl]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).