BioLiP

PDB

BioLiP

PDB CCD ID:

UBN

Number of entries in BioLiP:

Chemical formula:

C15 H30 N2 O

InChI:

InChI=1S/C15H30N2O/c1-3-4-5-6-7-8-11-16-15(18)17-12-9-14(2)10-13-17/h14H,3-13H2,1-2H3,(H,16,18)

InChIKey:

HAWIGYZAJFCXMR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCNC(=O)N1CCC(CC1)C
CACTVS 3.385	CCCCCCCCNC(=O)N1CCC(C)CC1

Name:

4-methyl-~{N}-[(~{E})-oct-5-enyl]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).