BioLiP

PDB

BioLiP

PDB CCD ID:

PVR

Number of entries in BioLiP:

Chemical formula:

C16 H22 N4 O2

InChI:

InChI=1S/C16H22N4O2/c1-12(21)20-8-6-19(7-9-20)11-16(22)18-15-10-17-5-4-14(15)13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,22)

InChIKey:

QSGGZCHNCXCCMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3
ACDLabs 12.01	O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1

Name:

2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide

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).