BioLiP

PDB

BioLiP

PDB CCD ID:

8YH

Number of entries in BioLiP:

Chemical formula:

C11 H22 N2 O

InChI:

InChI=1S/C11H22N2O/c1-3-4-7-12-11(14)13-8-5-10(2)6-9-13/h10H,3-9H2,1-2H3,(H,12,14)

InChIKey:

GASMLRFTKRLWLW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCCNC(=O)N1CCC(CC1)C
CACTVS 3.385	CCCCNC(=O)N1CCC(C)CC1

Name:

~{N}-butyl-4-methyl-piperidine-1-carboxamide

ZINC:

ZINC000006726755

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).