Reaction Details Report a problem with these data
Target
Salicylate synthase
Ligand
BDBM92747
Substrate
n/a
Meas. Tech.
Fluorescence-Based Thermal Shift Assay
Ki
1.2e+4± 1e+3 nM
Citation
 Chi, G; Manos-Turvey, A; O'Connor, PD; Johnston, JM; Evans, GL; Baker, EN; Payne, RJ; Lott, JS; Bulloch, EM Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis. Biochemistry 51:4868-79 (2012) [PubMed]  Article 
Target
Name:
Salicylate synthase
Synonyms:
Isochorismate synthase/isochorismate-pyruvate lyase MbtI | Salicylate synthase (MbtI) | MBTI_MYCTO | mbtI | trpE2
Type:
Protein
Mol. Mass.:
48744.20
Organism:
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Description:
P9WFX0
Residue:
450
Sequence:
MSELSVATGAVSTASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVARQ
  
Inhibitor
Name:
BDBM92747
Synonyms:
cyclopropyl-AMT
Type:
Small molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
Oc1c(OC(=CC2CC2)C([O-])=O)cccc1C([O-])=O |w:5.5|
Structure:
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