Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH)
LigandBDBM228818
Substrate/Competitorn/a
Meas. Tech.In Silico Screening
Ki 3e+3± 0 nM
Citation O'Dowd, B; Williams, S; Wang, H; No, JH; Rao, G; Wang, W; McCammon, JA; Cramer, SP; Oldfield, 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.:34766.09
Organism:Escherichia coli (Enterobacteria)
Description:P62623
Residue:316
Sequence:
MQILLANPRGFCAGVDRAISIVENALAIYGAPIYVRHEVVHNRYVVDSLRERGAIFIEQI
SEVPDGAILIFSAHGVSQAVRNEAKSRDLTVFDATCPLVTKVHMEVARASRRGEESILIG
HAGHPEVEGTMGQYSNPEGGMYLVESPDDVWKLTVKNEEKLSFMTQTTLSVDDTSDVIDA
LRKRFPKIVGPRKDDICYATTNRQEAVRALAEQAEVVLVVGSKNSSNSNRLAELAQRMGK
RAFLIDDAKDIQEEWVKEVKCVGVTAGASAPDILVQNVVARLQQLGGGEAIPLEGREENI
VFEVPKELRVDIREVD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM228818
NameBDBM228818
Synonyms:8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione | IspH inhibitor, 9
TypeSmall organic molecule
Emp. Form.C22H23N5O3
Mol. Mass.405.4497
SMILESNc1ccc2N3CCN(Cc4ccccc4)CC3C3(Cc2c1)C(=O)NC(=O)NC3=O
Structure
n/a