Reaction Details Report a problem with these data
Target
4-hydroxy-3-methylbut-2-enyl diphosphate reductase
Ligand
BDBM50098378
Substrate
n/a
Meas. Tech.
ChEMBL_908690 (CHEMBL3065755)
IC50
485000±n/a nM
Citation
More Info.:
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:
BDBM50098378
Synonyms:
(1-Hydroxy-1-phosphono-2-pyridin-2-yl-ethyl)-phosphonic acid | 1-hydroxy-2-(pyridin-2-yl)ethane-1,1-diyldiphosphonic acid | 2-(2-Hydroxy-2,2-bis-phosphono-ethyl)-pyridinium | 2-(2-pyridyl)-1-hydroxy-ethane-1,1-bisphosphonate | CHEMBL434024
Type:
Small organic molecule
Emp. Form.:
C7H11NO7P2
Mol. Mass.:
283.1123
SMILES:
OC(Cc1ccccn1)(P(O)(O)=O)P(O)(O)=O