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SMILES: ONC(=O)[C@H]1COC(=N1)c1ccc(OCc2cccc(F)c2)c(c1)C(F)(F)F

InChI Key: InChIKey=UUOVEWMOBZUAHW-CQSZACIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 81705   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM81705
PNG
(LpxC Inhibitor, L6)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(OCc2cccc(F)c2)c(c1)C(F)(F)F |r,c:7|
Show InChI InChI=1S/C18H14F4N2O4/c19-12-3-1-2-10(6-12)8-27-15-5-4-11(7-13(15)18(20,21)22)17-23-14(9-28-17)16(25)24-26/h1-7,14,26H,8-9H2,(H,24,25)/t14-/m1/s1
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Article
PubMed
n/an/a 250n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research



Assay Description
The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.

Chem Biol Drug Des 71: 45-56 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00608.x
BindingDB Entry DOI: 10.7270/Q2K64GJF
More data for this
Ligand-Target Pair