Reaction Details |
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Target | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase |
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Ligand | BDBM50098378 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_908690 (CHEMBL3065755) |
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IC50 | 485000±n/a nM |
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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 Soc132:6719-27 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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4-hydroxy-3-methylbut-2-enyl diphosphate reductase |
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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: | MVDIIIAEHAGFCFGVKRAVKLAEESLKESQGKVYTLGPIIHNPQEVNRLKNLGVFPSQG
EEFKEGDTVIIRSHGIPPEKEEALRKKGLKVIDATCPYVKAVHEAVCQLTREGYFVVLVG
EKNHPEVIGTLGYLRACNGKGIVVETLEDIGEALKHERVGIVAQTTQNEEFFKEVVGEIA
LWVKEVKVINTICNATSLRQESVKKLAPEVDVMIIIGGKNSGNTRRLYYISKELNPNTYH
IETAEELQPEWFRGVKRVGISAGASTPDWIIEQVKSRIQEICEGQLVSS
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BDBM50098378 |
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n/a |
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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 |
Structure |
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