BioLiP

PDB

BioLiP

PDB CCD ID:

HAU

Number of entries in BioLiP:

Chemical formula:

C14 H19 N3 O2

InChI:

InChI=1S/C14H19N3O2/c1-10-3-4-13(15-9-10)16-14(19)12-5-7-17(8-6-12)11(2)18/h3-4,9,12H,5-8H2,1-2H3,(H,15,16,19)

InChIKey:

LDNVJBRMIHEEJK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(N2CCC(C(=O)Nc1ncc(cc1)C)CC2)C
OpenEye OEToolkits 1.9.2	Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C
CACTVS 3.385	CC(=O)N1CCC(CC1)C(=O)Nc2ccc(C)cn2

Name:

1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide

ZINC:

ZINC000006715533

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).