Reaction Details |
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Target | 3-oxoacyl-[acyl-carrier-protein] synthase 2 |
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Ligand | BDBM50180114 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_330092 (CHEMBL863390) |
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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 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 2 |
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Name: | 3-oxoacyl-[acyl-carrier-protein] synthase 2 |
Synonyms: | KASB_MYCTU | kasB |
Type: | PROTEIN |
Mol. Mass.: | 44268.74 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_330092 |
Residue: | 417 |
Sequence: | MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIG
GHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEE
LVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARA
WQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFG
EGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGL
APGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTV
LALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY
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BDBM50180114 |
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n/a |
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Name | BDBM50180114 |
Synonyms: | 3,5-dimethyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-hydroxy-5H-thiophen-2-one | CHEMBL199771 |
Type | Small organic molecule |
Emp. Form. | C21H32O2S |
Mol. Mass. | 348.543 |
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 |
Structure |
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