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Target
Decaprenyl diphosphate synthase
Ligand
BDBM97434
Substrate
n/a
Meas. Tech.
DPPS Inhibition (GPP based) Assay
pH
7.5±n/a
IC50
8.4e+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:
BDBM97434
Synonyms:
100873, 18 | BPH-1375
Type:
Small molecule
Emp. Form.:
C28H26N8O4
Mol. Mass.:
538.5572
SMILES:
NC(=O)c1cc(NC(=O)c2ccc(cc2)C(=O)Nc2cc(cc(c2)C2=NCCN2)C(N)=O)cc(c1)C1=NCCN1 |t:26,39|
Structure:
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