Reaction Details Report a problem with these data
Target
4-hydroxy-3-methylbut-2-enyl diphosphate reductase
Ligand
BDBM50115106
Substrate
n/a
Meas. Tech.
ChEMBL_908690 (CHEMBL3065755)
IC50
>1000000±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:
BDBM50115106
Synonyms:
2-(pyridin-2-ylamino)ethane-1,1-diyldiphosphonic acid | CHEMBL294192 | [1-Phosphono-2-(pyridin-2-ylamino)-ethyl]-phosphonic acid(NE11808) | [1-phosphono-2-(pyridin-2-ylamino)-ethyl]-phosphonic acid | [2-(2-pyridinylamino)ethylidene]-1,1-bisphosphonate | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
Type:
Small organic molecule
Emp. Form.:
C7H12N2O6P2
Mol. Mass.:
282.1275
SMILES:
OP(O)(=O)C(CNc1ccccn1)P(O)(O)=O
Structure:
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