| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-ketoacyl-ACP synthase III (FabH) |
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| Ligand | BDBM50180114 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_330090 |
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| IC50 | >100000±n/a nM |
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| Citation |  Kim P; Zhang YM; Shenoy G; Nguyen QA; Boshoff HI; Manjunatha UH; Goodwin MB; Lonsdale J; Price AC; Miller DJ; Duncan K; White SW; Rock CO; Barry CE; Dowd CS Structure-activity relationships at the 5-position of thiolactomycin: an intact (5R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli. J Med Chem 49:159-71 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-ketoacyl-ACP synthase III (FabH) |
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| Name: | Beta-ketoacyl-ACP synthase III (FabH) |
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| Synonyms: | 3-oxoacyl-[acyl-carrier-protein] synthase | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 3-oxoacyl-[acyl-carrier-protein] synthase III |
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| Type: | Enzyme |
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| Mol. Mass.: | 33506.68 |
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| Organism: | Escherichia coli |
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| Description: | C3TDZ2 |
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| Residue: | 317 |
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| Sequence: | MYTKIIGTGSYLPEQVRTNADLEKMVDTSDEWIVTRTGIRERHIAAPNETVSTMGFEAAT
RAIEMAGIEKDQIGLIVVATTSATHAFPSAACQIQSMLGIKGCPAFDVAAACAGFTYALS
VADQYVKSGAVKYALVVGSDVLARTCDPTDRGTIIIFGDGAGAAVLAASEEPGIISTHLH
ADGSYGELLTLPNADRVNPENSIHLTMAGNEVFKVAVTELAHIVDETLAANNLDRSQLDW
LVPHQANLRIISATAKKLGMSMDNVVVTLDRHGNTSAASVPCALDEAVRDGRIKPGQLVL
LEAFGGGFTWGSALVRF
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| BDBM50180114 |
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| n/a |
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| Name | BDBM50180114 |
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| Synonyms: | 3,5-dimethyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-hydroxy-5H-thiophen-2-one | CHEMBL199771 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H32O2S |
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| Mol. Mass. | 348.543 |
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| SMILES | [#6]-[#6]-1-[#6](=O)-[#16]C([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |
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| Structure | 
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