BioLiP

PDB

BioLiP

PDB CCD ID:

A1JGV

Number of entries in BioLiP:

Chemical formula:

C15 H10 Br F2 N3 O2

InChI:

InChI=1S/C15H10BrF2N3O2/c16-10-4-11(6-19-5-10)21-14(22)8-20(15(21)23)7-9-1-2-12(17)13(18)3-9/h1-6H,7-8H2

InChIKey:

ZDYFOKFBXSALJG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(CN2CC(=O)N(C2=O)c3cncc(Br)c3)cc1F
OpenEye OEToolkits 2.0.7	c1cc(c(cc1CN2CC(=O)N(C2=O)c3cc(cnc3)Br)F)F

Name:

1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione

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).