Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase PknA
Ligand
BDBM50279793
Substrate
n/a
Meas. Tech.
ChEMBL_1721604 (CHEMBL4136604)
Ki
>33000±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 PknA
Synonyms:
2.7.11.1 | Serine/threonine-protein kinase PknA | PKNA_MYCTU | pknA
Type:
PROTEIN
Mol. Mass.:
45619.67
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_117830
Residue:
431
Sequence:
MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ
  
Inhibitor
Name:
BDBM50279793
Synonyms:
CHEMBL4174513
Type:
Small organic molecule
Emp. Form.:
C21H26N6O
Mol. Mass.:
378.48
SMILES:
COc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1
Structure:
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