Reaction Details Report a problem with these data
Target
Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Ligand
BDBM50148594
Substrate
n/a
Meas. Tech.
ChEMBL_431881 (CHEMBL915964)
IC50
10000±n/a nM
Citation
 Gobec, S; Plantan, I; Mravljak, J; Svajger, U; Wilson, RA; Besra, GS; Soares, SL; Appelberg, R; Kikelj, D Design, synthesis, biochemical evaluation and antimycobacterial action of phosphonate inhibitors of antigen 85C, a crucial enzyme involved in biosynthesis of the mycobacterial cell wall. Eur J Med Chem 42:54-63 (2007) [PubMed]  Article 
Target
Name:
Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Synonyms:
A85C_MYCTU | Fibonectin-binding protein C | fbpC | mpt45
Type:
PROTEIN
Mol. Mass.:
36770.32
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_431881
Residue:
340
Sequence:
MTFFEQVRRLRSAATTLPRRLAIAAMGAVLVYGLVGTFGGPATAGAFSRPGLPVEYLQVPSASMGRDIKVQFQGGGPHAVYLLDGLRAQDDYNGWDINTPAFEEYYQSGLSVIMPVGGQSSFYTDWYQPSQSNGQNYTYKWETFLTREMPAWLQANKGVSPTGNAAVGLSMSGGSALILAAYYPQQFPYAASLSGFLNPSEGWWPTLIGLAMNDSGGYNANSMWGPSSDPAWKRNDPMVQIPRLVANNTRIWVYCGNGTPSDLGGDNIPAKFLEGLTLRTNQTFRDTYAADGGRNGVFNFPPNGTHSWPYWNEQLVAMKADIQHVLNGATPPAAPAAPAA
  
Inhibitor
Name:
BDBM50148594
Synonyms:
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl ethylbutylphosphonate | Butyl-phosphonic acid 1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl ester ethyl ester | CHEMBL333877
Type:
Small organic molecule
Emp. Form.:
C15H20NO5P
Mol. Mass.:
325.2968
SMILES:
CCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O
Structure:
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