BioLiP

PDB

BioLiP

PDB CCD ID:

Y0G

Number of entries in BioLiP:

Chemical formula:

C17 H18 F N3 O4

InChI:

InChI=1S/C17H18FN3O4/c1-24-12-4-5-14(13(18)11-12)19-17(23)21-8-6-20(7-9-21)16(22)15-3-2-10-25-15/h2-5,10-11H,6-9H2,1H3,(H,19,23)

InChIKey:

FEVZYVVNRULDBL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N2(C(=O)Nc1ccc(OC)cc1F)CCN(CC2)C(c3occc3)=O
OpenEye OEToolkits 2.0.7	COc1ccc(c(c1)F)NC(=O)N2CCN(CC2)C(=O)c3ccco3
CACTVS 3.385	COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)c(F)c1

Name:

N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)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).