| Reaction Details |
|---|
 | Report a problem with these data |
| Target | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase |
|---|
| Ligand | BDBM228817 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | In Silico Screening |
|---|
| Ki | 500±0.0 nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| 4-hydroxy-3-methylbut-2-enyl diphosphate reductase |
|---|
| Name: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase |
|---|
| Synonyms: | (E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) | ISPH_PSEAE | ispH | lytB |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 34755.00 |
|---|
| Organism: | Pseudomonas aeruginosa |
|---|
| Description: | Q9HVM7 |
|---|
| Residue: | 314 |
|---|
| Sequence: | MQIKLANPRGFCAGVDRAIEIVNRALDVFGPPIYVRHEVVHNKFVVDNLRQRGAIFVEEL
DQVPNNVIVIFSAHGVSQAVRKEAEGRGLKVFDATCPLVTKVHMEVVRYSRDGHECVLIG
HEGHPEVEGTMGQYDASNGGAIYLVEDEADVAALEVRKPEALHYVTQTTLSMDDTSKVID
ALRAKFPQIQGPRKNDICYATQNRQDAVKELADQCDMVLVVGSPNSSNSNRLRELAERMG
TPAYLIDGAEDMQRGWFDGVRRIGITAGASAPEVLVRGVIAQLREWGASEEQELEGREEN
ITFSMPKELRVKAL
|
|
|
|---|
| BDBM228817 |
|---|
| n/a |
|---|
| Name | BDBM228817 |
|---|
| Synonyms: | IspH inhibitor, 8 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C17H21N5O3 |
|---|
| Mol. Mass. | 343.3803 |
|---|
| SMILES | CCN1CCN2C(C1)C1(Cc3cc(N)ccc23)C(=O)NC(=O)NC1=O |
|---|
| Structure | 
|
|---|
Search and Browse
