BioLiP

PDB

BioLiP

PDB CCD ID:

Y2G

Number of entries in BioLiP:

Chemical formula:

C14 H21 N3 O4

InChI:

InChI=1S/C14H21N3O4/c1-11-3-4-12(21-11)13(18)16-6-8-17(9-7-16)14(19)15-5-10-20-2/h3-4H,5-10H2,1-2H3,(H,15,19)

InChIKey:

JJPYFJYYNVUAAE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC
CACTVS 3.385	COCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2
ACDLabs 12.01	N2(CCN(C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O

Name:

N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

ZINC:

ZINC000069537964

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).