| Reaction Details |
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 | Report a problem with these data |
| Target | (E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) |
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| Ligand | BDBM228817 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | In Silico Screening |
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| Ki | 500±0.0 nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| (E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) |
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| Name: | (E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) |
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| Synonyms: | LytB |
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| Type: | Enzyme |
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| Mol. Mass.: | 34755.00 |
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| Organism: | Pseudomonas aeruginosa |
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| Description: | Q9HVM7 |
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| Residue: | 314 |
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| Sequence: | MQIKLANPRGFCAGVDRAIEIVNRALDVFGPPIYVRHEVVHNKFVVDNLRQRGAIFVEEL
DQVPNNVIVIFSAHGVSQAVRKEAEGRGLKVFDATCPLVTKVHMEVVRYSRDGHECVLIG
HEGHPEVEGTMGQYDASNGGAIYLVEDEADVAALEVRKPEALHYVTQTTLSMDDTSKVID
ALRAKFPQIQGPRKNDICYATQNRQDAVKELADQCDMVLVVGSPNSSNSNRLRELAERMG
TPAYLIDGAEDMQRGWFDGVRRIGITAGASAPEVLVRGVIAQLREWGASEEQELEGREEN
ITFSMPKELRVKAL
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| BDBM228817 |
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| Name | BDBM228817 |
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| Synonyms: | IspH inhibitor, 8 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H21N5O3 |
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| Mol. Mass. | 343.3803 |
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| SMILES | CCN1CCN2C(C1)C1(Cc3cc(N)ccc23)C(=O)NC(=O)NC1=O |
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| Structure | 
|
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| n/a |
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