Reaction Details
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Decaprenyl diphosphate synthase
Ligand
BDBM153315
Substrate
n/a
Meas. Tech.
DPPS Inhibition (GPP based) Assay
pH
7.5±n/a
IC50
3.6e+2±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 More Info.:
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:
BDBM153315
Synonyms:
BPH-789
Type:
Small organic molecule
Emp. Form.:
C34H36N2O18P4S2
Mol. Mass.:
948.677
SMILES:
OC(Cc1cccc(c1)-c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)-c2cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c2)c1)(P(O)(O)=O)P(O)(O)=O
Structure:
