| Reaction Details |
|---|
 | Report a problem with these data |
| Target | 3-oxoacyl-[acyl-carrier-protein] synthase 1 |
|---|
| Ligand | BDBM93050 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | Binding Fluorescence Titrations |
|---|
| pH | 8.5±0 |
|---|
| Kd | 6.58e+4± 2.0e+3 nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Solution Info, Assay Method |
|---|
| |
| 3-oxoacyl-[acyl-carrier-protein] synthase 1 |
|---|
| Name: | 3-oxoacyl-[acyl-carrier-protein] synthase 1 |
|---|
| Synonyms: | β-ketoacyl-ACP synthase I (KasA) | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | Beta-ketoacyl-ACP synthase (KasA) | KASA_MYCTU | kasA |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 43305.57 |
|---|
| Organism: | Mycobacterium tuberculosis |
|---|
| Description: | P9WQD9 |
|---|
| Residue: | 416 |
|---|
| Sequence: | MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKI
GGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAE
RIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAH
AWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFG
EAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGL
SPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVL
TLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY
|
|
|
|---|
| BDBM93050 |
|---|
| n/a |
|---|
| Name | BDBM93050 |
|---|
| Synonyms: | TLM analog, 7 |
|---|
| Type | Small molecule |
|---|
| Emp. Form. | C14H18O3S |
|---|
| Mol. Mass. | 266.356 |
|---|
| SMILES | CCCC(=O)C1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r| |
|---|
| Structure | 
|
|---|
Search and Browse
