BioLiP

PDB

BioLiP

PDB CCD ID:

UAQ

Number of entries in BioLiP:

Chemical formula:

C12 H18 N2 O2

InChI:

InChI=1S/C12H18N2O2/c1-10-4-6-14(7-5-10)12(15)13-9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)

InChIKey:

WVQSALJZZLSNAY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1CCN(CC1)C(=O)NCc2occc2
OpenEye OEToolkits 2.0.7	CC1CCN(CC1)C(=O)NCc2ccco2

Name:

~{N}-(furan-2-ylmethyl)-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).