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Target
Serine/threonine-protein kinase PknB
Ligand
BDBM50279757
Substrate
n/a
Meas. Tech.
ChEMBL_1721605 (CHEMBL4136605)
Ki
<1.000000±n/a nM
Citation
 Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett 8:1224-1229 (2017) [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:
BDBM50279757
Synonyms:
CHEMBL4166160
Type:
Small organic molecule
Emp. Form.:
C18H15ClN6O2S2
Mol. Mass.:
446.934
SMILES:
NS(=O)(=O)c1ccc(s1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Structure:
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