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Target
Decaprenyl diphosphate synthase
Ligand
BDBM50138040
Substrate
n/a
Meas. Tech.
DPPS Inhibition (trans FPP based) Assay
pH
7.5±n/a
IC50
6.3e+3±n/a nM
Comments
extracted
Citation
 Kim, MO; Feng, X; Feixas, F; Zhu, W; Lindert, S; Bogue, S; Sinko, W; de Oliveira, C; Rao, G; Oldfield, E; McCammon, JA A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery. Chem Biol Drug Des 85:756-69 (2015) [PubMed]  Article 
Target
Name:
Decaprenyl diphosphate synthase
Synonyms:
DPDS_MYCTO | cis-Decaprenyl diphosphate synthase (cis-DPPS) | uppS
Type:
Protein
Mol. Mass.:
33800.02
Organism:
Mycobacterium tuberculosis H37Rv
Description:
n/a
Residue:
296
Sequence:
MARDARKRTSSNFPQLPPAPDDYPTFPDTSTWPVVFPELPAAPYGGPCRPPQHTSKAAAPRIPADRLPNHVAIVMDGNGRWATQRGLARTEGHKMGEAVVIDIACGAIELGIKWLSLYAFSTENWKRSPEEVRFLMGFNRDVVRRRRDTLKKLGVRIRWVGSRPRLWRSVINELAVAEEMTKSNDVITINYCVNYGGRTEITEATREIAREVAAGRLNPERITESTIARHLQRPDIPDVDLFLRTSGEQRSSNFMLWQAAYAEYIFQDKLWPDYDRRDLWAACEEYASRTRRFGSA
  
Inhibitor
Name:
BDBM50138040
Synonyms:
(biphenyl-3-ylamino)methylenediphosphonic acid | BPH-218 | CHEMBL55371 | [(Biphenyl-3-ylamino)-phosphono-methyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C13H15NO6P2
Mol. Mass.:
343.2088
SMILES:
OP(O)(=O)C(Nc1cccc(c1)-c1ccccc1)P(O)(O)=O
Structure:
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