Target
Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Ligand
BDBM50195749
Substrate
n/a
Meas. Tech.
ChEMBL_431881 (CHEMBL915964)
IC50
42600±n/a nM
Citation
 Gobec, SPlantan, IMravljak, JSvajger, UWilson, RABesra, GSSoares, SLAppelberg, RKikelj, 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:
BDBM50195749
Synonyms:
CHEMBL223946 | ethyl 3-phenoxybenzyl hexylphosphonate
Type:
Small organic molecule
Emp. Form.:
C21H29O4P
Mol. Mass.:
376.4263
SMILES:
CCCCCCP(=O)(OCC)OCc1ccccc1Oc1ccccc1
Structure:
Search PDB for entries with ligand similarity: