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Target
Serine/threonine-protein kinase PknB
Ligand
BDBM50381135
Substrate
n/a
Meas. Tech.
ChEMBL_814187 (CHEMBL2020901)
IC50
23±n/a nM
Citation
 Chapman, TM; Bouloc, N; Buxton, RS; Chugh, J; Lougheed, KE; Osborne, SA; Saxty, B; Smerdon, SJ; Taylor, DL; Whalley, D Substituted aminopyrimidine protein kinase B (PknB) inhibitors show activity against Mycobacterium tuberculosis. Bioorg Med Chem Lett 22:3349-53 (2012) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase PknB
Synonyms:
PKNB_MYCTU | pknB
Type:
PROTEIN
Mol. Mass.:
66497.93
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_774233
Residue:
626
Sequence:
MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ
  
Inhibitor
Name:
BDBM50381135
Synonyms:
CHEMBL2017736
Type:
Small organic molecule
Emp. Form.:
C24H28N8
Mol. Mass.:
428.5327
SMILES:
CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)C#N)CC1
Structure:
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