BioLiP

PDB

BioLiP

PDB CCD ID:

A1IIR

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O2

InChI:

InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2

InChIKey:

SADPINFEWFPMEA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1)C(=O)N2CCNCC2
CACTVS 3.385	O=C(N1CCNCC1)c2occc2

Name:

furan-2-yl(piperazin-1-yl)methanone

ChEMBL:

CHEMBL3560648

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).