Reaction Details Report a problem with these data
Target
Inorganic pyrophosphatase
Ligand
BDBM50444858
Substrate
n/a
Meas. Tech.
ChEMBL_1282725 (CHEMBL3101912)
IC50
63200±n/a nM
Citation
 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Synthesis of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase. Bioorg Med Chem 22:406-18 (2013) [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:
BDBM50444858
Synonyms:
CHEMBL3099415
Type:
Small organic molecule
Emp. Form.:
C25H24N4O2
Mol. Mass.:
412.4837
SMILES:
Cc1ccc(o1)-c1cnnc(n1)N1CCC(C1)c1cccc(OCc2ccccc2)c1
Structure:
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