BioLiP

PDB

BioLiP

PDB CCD ID:

UB5

Number of entries in BioLiP:

Chemical formula:

C12 H24 N2 O

InChI:

InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)

InChIKey:

ZVWQTTCMILVTNG-UHFFFAOYSA-N

SMILES:

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

Name:

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