Reaction Details Report a problem with these data
Target
4-hydroxy-3-methylbut-2-enyl diphosphate reductase
Ligand
BDBM50113291
Substrate
n/a
Meas. Tech.
ChEMBL_908690 (CHEMBL3065755)
IC50
67000±n/a nM
Citation
 Wang, K; Wang, W; No, JH; Zhang, Y; Zhang, Y; Oldfield, E Inhibition of the Fe(4)S(4)-cluster-containing protein IspH (LytB): electron paramagnetic resonance, metallacycles, and mechanisms. J Am Chem Soc 132:6719-27 (2010) [PubMed]  Article 
Target
Name:
4-hydroxy-3-methylbut-2-enyl diphosphate reductase
Synonyms:
(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) | ISPH_AQUAE | ispH | lytB
Type:
Enzyme
Mol. Mass.:
32103.05
Organism:
Aquifex aeolicus
Description:
O67625
Residue:
289
Sequence:
MVDIIIAEHAGFCFGVKRAVKLAEESLKESQGKVYTLGPIIHNPQEVNRLKNLGVFPSQGEEFKEGDTVIIRSHGIPPEKEEALRKKGLKVIDATCPYVKAVHEAVCQLTREGYFVVLVGEKNHPEVIGTLGYLRACNGKGIVVETLEDIGEALKHERVGIVAQTTQNEEFFKEVVGEIALWVKEVKVINTICNATSLRQESVKKLAPEVDVMIIIGGKNSGNTRRLYYISKELNPNTYHIETAEELQPEWFRGVKRVGISAGASTPDWIIEQVKSRIQEICEGQLVSS
  
Inhibitor
Name:
BDBM50113291
Synonyms:
(4-methylpyridin-2-ylamino)methylenediphosphonic acid | 2-[(Bis-phosphono-methyl)-amino]-4-methyl-pyridinium | CHEMBL55557 | [(4-Methyl-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C7H12N2O6P2
Mol. Mass.:
282.1275
SMILES:
Cc1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1
Structure:
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