BioLiP

PDB

BioLiP

PDB CCD ID:

ZP5

Number of entries in BioLiP:

Chemical formula:

C13 H14 N4 O4

InChI:

InChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19)

InChIKey:

JFRDDDWDJJFTRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3
OpenEye OEToolkits 2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3
ACDLabs 12.01	O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1

Name:

4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide

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).