Target
Decaprenyl diphosphate synthase
Ligand
BDBM153316
Substrate
n/a
Meas. Tech.
DPPS Inhibition (cis FPP based) Assay
pH
7.5±n/a
IC50
6.1e+2±n/a nM
Comments
extracted
Citation
 Kim, MOFeng, XFeixas, FZhu, WLindert, SBogue, SSinko, Wde Oliveira, CRao, GOldfield, EMcCammon, 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:
BDBM153316
Synonyms:
BPH-640
Type:
Small organic molecule
Emp. Form.:
C19H18O7P2
Mol. Mass.:
420.2895
SMILES:
OC(c1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Structure:
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