BioLiP

PDB

BioLiP

PDB CCD ID:

ZO5

Number of entries in BioLiP:

Chemical formula:

C18 H19 N3 O5

InChI:

InChI=1S/C18H19N3O5/c22-17(15-2-1-9-24-15)20-5-7-21(8-6-20)18(23)19-11-13-3-4-14-16(10-13)26-12-25-14/h1-4,9-10H,5-8,11-12H2,(H,19,23)

InChIKey:

OROHVINEJMFCOR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occc4
OpenEye OEToolkits 2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc4c(c3)OCO4
ACDLabs 12.01	O=C(N1CCN(CC1)C(=O)NCc1ccc2OCOc2c1)c1ccco1

Name:

N-[(2H-1,3-benzodioxol-5-yl)methyl]-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).