BioLiP

PDB

BioLiP

PDB CCD ID:

A1CU6

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O2

InChI:

InChI=1S/C9H15NO2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h9H,3-6H2,1-2H3

InChIKey:

VFZXZEJGLKOTBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(=O)C1CCN(CC1)C(=O)C
CACTVS 3.385	CC(=O)C1CCN(CC1)C(C)=O
ACDLabs 14.52	O=C(C)N1CCC(CC1)C(C)=O

Name:

1,1'-(piperidine-1,4-diyl)di(ethan-1-one)

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).