BioLiP

PDB

BioLiP

PDB CCD ID:

UA8

Number of entries in BioLiP:

Chemical formula:

C14 H26 N2 O

InChI:

InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)

InChIKey:

RBBIAFZDUSBCMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)NC2CCCCCC2

Name:

~{N}-cycloheptyl-4-methyl-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).