BioLiP

PDB

BioLiP

PDB CCD ID:

WJM

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O3

InChI:

InChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)

InChIKey:

ZHALJTYSCWNFOY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N1(CCN(CC1)C(=O)c2ccco2)CC(N)=O
OpenEye OEToolkits 2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N
CACTVS 3.385	NC(=O)CN1CCN(CC1)C(=O)c2occc2

Name:

2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

ZINC:

ZINC000035889362

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).