Reaction Details |
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Target | 3-oxoacyl-[acyl-carrier-protein] synthase 1 |
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Ligand | BDBM93059 |
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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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Ki | 1.38e+4± 2e+2 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 |
Synonyms: | Beta-ketoacyl-ACP synthase (KasA) C171Q | KASA_MYCTO | kasA |
Type: | Protein |
Mol. Mass.: | 43305.57 |
Organism: | Mycobacterium tuberculosis |
Description: | P9WQD8 |
Residue: | 416 |
Sequence: | MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKI
GGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAE
RIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAH
AWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFG
EAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGL
SPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVL
TLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY
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BDBM93059 |
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n/a |
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Name | BDBM93059 |
Synonyms: | TLM analog, 16 |
Type | Small molecule |
Emp. Form. | C26H28O2S |
Mol. Mass. | 404.564 |
SMILES | C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCc2ccc(cc2)-c2ccccc2)C1=O |r| |
Structure |
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