Reaction Details Report a problem with these data
Target
Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Ligand
BDBM50148581
Substrate
n/a
Meas. Tech.
ChEBML_35860
IC50
862290.0±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:
BDBM50148581
Synonyms:
CHEMBL119236 | Tetradecyl-phosphonic acid ethyl ester 3-phenoxy-benzyl ester
Type:
Small organic molecule
Emp. Form.:
C29H45O4P
Mol. Mass.:
488.639
SMILES:
CCCCCCCCCCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1
Structure:
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