Reaction Details Report a problem with these data
Target
Decaprenyl diphosphate synthase
Ligand
BDBM50138035
Substrate
n/a
Meas. Tech.
DPPS Inhibition (trans FPP based) Assay
pH
7.5±n/a
IC50
4.6e+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
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:
BDBM50138035
Synonyms:
(biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate | (biphenyl-4-ylamino)methylenediphosphonic acid | BPH-217 | CHEMBL293479 | [(Biphenyl-4-ylamino)-phosphono-methyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C13H15NO6P2
Mol. Mass.:
343.2088
SMILES:
OP(O)(=O)C(Nc1ccc(cc1)-c1ccccc1)P(O)(O)=O