BioLiP

PDB

BioLiP

PDB CCD ID:

WFF

Number of entries in BioLiP:

Chemical formula:

C18 H11 F2 N O4

InChI:

InChI=1S/C18H11F2NO4/c19-10-2-3-11(13(20)6-10)17-12(7-25-18(17)23)9-1-4-15-14(5-9)21-16(22)8-24-15/h1-6H,7-8H2,(H,21,22)

InChIKey:

YDHMBCOVDPWSQA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(c(F)c1)C2=C(COC2=O)c3ccc4OCC(=O)Nc4c3
OpenEye OEToolkits 1.7.6	c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2
ACDLabs 12.01	Fc4ccc(C=3C(=O)OCC=3c2cc1NC(=O)COc1cc2)c(F)c4

Name:

6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one

ChEMBL:

CHEMBL2419303

ZINC:

ZINC000095920792

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).