BioLiP

PDB

BioLiP

PDB CCD ID:

9W2

Number of entries in BioLiP:

Chemical formula:

C11 H16 N4 O

InChI:

InChI=1S/C11H16N4O/c1-9(16)14-10-3-7-15(8-4-10)11-12-5-2-6-13-11/h2,5-6,10H,3-4,7-8H2,1H3,(H,14,16)

InChIKey:

ZVXAROMXPLDLIO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)NC1CCN(CC1)c2ncccn2

Name:

~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide

ZINC:

ZINC000046597335

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).