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Target(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH)
LigandBDBM228817
Substrate/Competitorn/a
Meas. Tech.In Silico Screening
Ki 500±0.0 nM
Citation O'Dowd, BWilliams, SWang, HNo, JHRao, GWang, WMcCammon, JACramer, SPOldfield, E Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-diphosphate Inhibitors. Chembiochem18:914-920 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH)
Name:(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH)
Synonyms:LytB
Type:Enzyme
Mol. Mass.:34755.00
Organism:Pseudomonas aeruginosa
Description:Q9HVM7
Residue:314
Sequence:
MQIKLANPRGFCAGVDRAIEIVNRALDVFGPPIYVRHEVVHNKFVVDNLRQRGAIFVEEL
DQVPNNVIVIFSAHGVSQAVRKEAEGRGLKVFDATCPLVTKVHMEVVRYSRDGHECVLIG
HEGHPEVEGTMGQYDASNGGAIYLVEDEADVAALEVRKPEALHYVTQTTLSMDDTSKVID
ALRAKFPQIQGPRKNDICYATQNRQDAVKELADQCDMVLVVGSPNSSNSNRLRELAERMG
TPAYLIDGAEDMQRGWFDGVRRIGITAGASAPEVLVRGVIAQLREWGASEEQELEGREEN
ITFSMPKELRVKAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM228817
NameBDBM228817
Synonyms:IspH inhibitor, 8
TypeSmall organic molecule
Emp. Form.C17H21N5O3
Mol. Mass.343.3803
SMILESCCN1CCN2C(C1)C1(Cc3cc(N)ccc23)C(=O)NC(=O)NC1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a