| Reaction Details |
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 | Report a problem with these data |
| Target | 3-oxoacyl-[acyl-carrier-protein] synthase 1 |
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| Ligand | BDBM50138281 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_330089 (CHEMBL863311) |
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| IC50 | 20000±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 Chem49:159-71 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 3-oxoacyl-[acyl-carrier-protein] synthase 1 |
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| Name: | 3-oxoacyl-[acyl-carrier-protein] synthase 1 |
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| Synonyms: | FABB_ECOLI | fabB | fabC |
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| Type: | PROTEIN |
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| Mol. Mass.: | 42605.82 |
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| Organism: | Escherichia coli (strain K12) |
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| Description: | ChEMBL_330089 |
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| Residue: | 406 |
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| Sequence: | MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWGNVKLDTTGLI
DRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVGLIAGSGGGSPRFQVFGADAM
RGPRGLKAVGPYVVTKAMASGVSACLATPFKIHGVNYSISSACATSAHCIGNAVEQIQLG
KQDIVFAGGGEELCWEMACEFDAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVV
EELEHALARGAHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHGVDTPIDYLNSHGT
STPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLMLEHGFIAPSIN
IEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLVMRKLKD
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| BDBM50138281 |
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| n/a |
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| Name | BDBM50138281 |
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| Synonyms: | 4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one | 4-Hydroxy-3,5-dimethyl-5-(2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one(Thiolactomycin) | CHEMBL322740 | rac-thiolactomycin |
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| Type | Small organic molecule |
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| Emp. Form. | C11H14O2S |
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| Mol. Mass. | 210.293 |
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| SMILES | CC1C(=O)SC(C)(\C=C(/C)C=C)C1=O |
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| Structure | 
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