BioLiP

PDB

BioLiP

PDB CCD ID:

Y0Y

Number of entries in BioLiP:

Chemical formula:

C17 H19 N3 O4

InChI:

InChI=1S/C17H19N3O4/c1-23-14-6-4-13(5-7-14)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,22)

InChIKey:

ARUJFUATKHSUDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3
ACDLabs 12.01	N2(CCN(C(=O)c1ccco1)CC2)C(Nc3ccc(OC)cc3)=O
CACTVS 3.385	COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)cc1

Name:

4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

ZINC:

ZINC000006730920

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).