Reaction Details Report a problem with these data
Target
Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Ligand
BDBM50148591
Substrate
n/a
Meas. Tech.
ChEBML_35860
IC50
50740±n/a nM
Citation
 Gobec, S; Plantan, I; Mravljak, J; Wilson, RA; Besra, GS; Kikelj, D Phosphonate inhibitors of antigen 85C, a crucial enzyme involved in the biosynthesis of the Mycobacterium tuberculosis cell wall. Bioorg Med Chem Lett 14:3559-62 (2004) [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:
BDBM50148591
Synonyms:
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethyl ethylbutylphosphonate | Butyl-phosphonic acid 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl ester ethyl ester | CHEMBL333999
Type:
Small organic molecule
Emp. Form.:
C16H22NO5P
Mol. Mass.:
339.3233
SMILES:
CCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O
Structure:
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