BioLiP

PDB

BioLiP

PDB CCD ID:

V5Y

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O

InChI:

InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)

InChIKey:

DPBWFNDFMCCGGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CNCCC1C(=O)N
ACDLabs 12.01 CACTVS 3.385	NC(=O)C1CCNCC1

Name:

piperidine-4-carboxamide

ZINC:

ZINC000003860530

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).