Reaction Details Report a problem with these data
Target
Inorganic pyrophosphatase
Ligand
BDBM205474
Substrate
n/a
Meas. Tech.
Colorimetric Malachite Green Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
6.8e+4± 8e+3 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_ECOLI | Inorganic pyrophosphatase (EcPPiase) | ppa
Type:
Protein
Mol. Mass.:
19696.77
Organism:
Escherichia coli (Enterobacteria)
Description:
P0A7A9
Residue:
176
Sequence:
MSLLNVPAGKDLPEDIYVVIEIPANADPIKYEIDKESGALFVDRFMSTAMFYPCNYGYINHTLSLDGDPVDVLVPTPYPLQPGSVIRCRPVGVLKMTDEAGEDAKLVAVPHSKLSKEYDHIKDVNDLPELLKAQIAHFFEHYKDLEKGKWVKVEGWENAEAAKAEIVASFERAKNK
  
Inhibitor
Name:
BDBM205474
Synonyms:
PPiase inhibitor, 18
Type:
Small organic molecule
Emp. Form.:
C29H42N6
Mol. Mass.:
474.684
SMILES:
CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1cc(C)cc(C)c1)N1CCCCCC1
Structure:
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