| 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 | BDBM50241313 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Binding Fluorescence Titrations |
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| pH | 8.5±0 |
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| Kd | 2.260e+5± 9.0e+3 nM |
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| Citation |  Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Thiolactomycin-based ß-Ketoacyl-AcpM Synthase A (KasA) Inhibitors: FRAGMENT-BASED INHIBITOR DISCOVERY USING TRANSIENT ONE-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT NMR SPECTROSCOPY. J Biol Chem288:6045-52 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, 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: | β-ketoacyl-ACP synthase I (KasA) | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | Beta-ketoacyl-ACP synthase (KasA) | KASA_MYCTU | kasA |
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| Type: | Protein |
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| Mol. Mass.: | 43305.57 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | P9WQD9 |
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| Residue: | 416 |
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| Sequence: | MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKI
GGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAE
RIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAH
AWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFG
EAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGL
SPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVL
TLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY
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| BDBM50241313 |
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| n/a |
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| Name | BDBM50241313 |
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| Synonyms: | (5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2(5H)-one | (R)-(+)-Thiolactomycin | (R)-4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one | (R,E)-4-hydroxy-3,5-dimethyl-5-(2-methylbuta-1,3-dienyl)thiophen-2(5H)-one | 5R-Thiolactomycin | CHEMBL399043 | TLM analog, 1 |
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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)S[C@](C)(\C=C(/C)C=C)C1=O |r| |
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| Structure | 
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