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Target
Serine/threonine-protein kinase PknB
Ligand
BDBM50381138
Substrate
n/a
Meas. Tech.
ChEMBL_814187 (CHEMBL2020901)
IC50
1130±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
Description:
ChEMBL_774233
Residue:
626
Sequence:
MTTPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGIARAIADSGNSVTQTAAVIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADLVRVHNGEPPEAPKVLTDAERTSLLSSAAGNLSGPRTDPLPRQDLDDTDRDRSIGSVGRWVAVVAVLAVLTVVVTIAINTFGGITRDVQVPDVRGQSSADAIATLQNRGFKIRTLQKPDSTIPPDHVIGTDPAANTSVSAGDEITVNVSTGPEQREIPDVSTLTYAEAVKKLTAAGFGRFKQANSPSTPELVGKVIGTNPPANQTSAITNVVIIIVGSGPATKDIPDVAGQTVDVAQKNLNVYGFTKFSQASVDSPRPAGEVTGTNPPAGTTVPVDSVIELQVSKGNQFVMPDLSGMFWVDAEPRLRALGWTGMLDKGADVDAGGSQHNRVVYQNPPAGTGVNRDGIITLRFGQ
  
Inhibitor
Name:
BDBM50381138
Synonyms:
CHEMBL2017739
Type:
Small organic molecule
Emp. Form.:
C22H26N6O
Mol. Mass.:
390.4814
SMILES:
COc1ccnc(Nc2cc(nc(n2)-c2ccccc2)N2CC[C@H](C2)N(C)C)c1 |r|
Structure:
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