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Target
Calcium/calmodulin-dependent protein kinase kinase 2
Ligand
BDBM50505541
Substrate
n/a
Meas. Tech.
ChEMBL_1822993 (CHEMBL4322757)
Kd
2.0±n/a nM
Citation
 Hirozane, Y; Toyofuku, M; Yogo, T; Tanaka, Y; Sameshima, T; Miyahisa, I; Yoshikawa, M Structure-based rational design of staurosporine-based fluorescent probe with broad-ranging kinase affinity for kinase panel application. Bioorg Med Chem Lett 29:0 (2019) [PubMed]  Article 
Target
Name:
Calcium/calmodulin-dependent protein kinase kinase 2
Synonyms:
CAMKK2 | CAMKKB | Calcium/calmodulin-dependent protein kinase kinase 2 (CaMKKB) | Calcium/calmodulin-dependent protein kinase kinase beta | KIAA0787 | KKCC2_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
64746.61
Organism:
Homo sapiens (Human)
Description:
gi_27437015
Residue:
588
Sequence:
MSSCVSSQPSSNRAAPQDELGGRGSSSSESQKPCEALRGLSSLSIHLGMESFIVVTECEPGCAVDLGLARDRPLEADGQEVPLDTSGSQARPHLSGRKLSLQERSQGGLAAGGSLDMNGRCICPSLPYSPVSSPQSSPRLPRRPTVESHHVSITGMQDCVQLNQYTLKDEIGKGSYGVVKLAYNENDNTYYAMKVLSKKKLIRQAGFPRRPPPRGTRPAPGGCIQPRGPIEQVYQEIAILKKLDHPNVVKLVEVLDDPNEDHLYMVFELVNQGPVMEVPTLKPLSEDQARFYFQDLIKGIEYLHYQKIIHRDIKPSNLLVGEDGHIKIADFGVSNEFKGSDALLSNTVGTPAFMAPESLSETRKIFSGKALDVWAMGVTLYCFVFGQCPFMDERIMCLHSKIKSQALEFPDQPDIAEDLKDLITRMLDKNPESRIVVPEIKLHPWVTRHGAEPLPSEDENCTLVEVTEEEVENSVKHIPSLATVILVKTMIRKRSFGNPFEGSRREERSLSAPGNLLTKKPTRECESLSELKEARQRRQPPGHRPAPRGGGGSALVRGSPCVESCWAPAPGSPARMHPLRPEEAMEPE
  
Inhibitor
Name:
BDBM50505541
Synonyms:
CHEMBL4465866
Type:
Small organic molecule
Emp. Form.:
C49H54BF2N7O7
Mol. Mass.:
901.804
SMILES:
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
Structure:
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