Reaction Details Report a problem with these data
Target
Inorganic pyrophosphatase
Ligand
BDBM205477
Substrate
n/a
Meas. Tech.
Colorimetric Malachite Green Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
1.66e+5± 2.0e+4 nM
Comments
extracted
Citation
 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis. ACS Chem Biol 11:3084-3092 (2016) [PubMed]  Article 
Target
Name:
Inorganic pyrophosphatase
Synonyms:
IPYR_MYCTU | Inorganic pyrophosphatase | Inorganic pyrophosphatase (MtPPiase) | PPase | Pyrophosphate phospho-hydrolase | ppa
Type:
Protein
Mol. Mass.:
18318.35
Organism:
Mycobacterium tuberculosis
Description:
P9WI55
Residue:
162
Sequence:
MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH
  
Inhibitor
Name:
BDBM205477
Synonyms:
PPiase inhibitor, 21
Type:
Small organic molecule
Emp. Form.:
C27H36N6
Mol. Mass.:
444.6149
SMILES:
Cc1cc(C)cc(c1)-n1cccc1-c1nc(nc(n1)N1CCCCCC1)N1CCCCCC1
Structure:
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