Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK3 [512-1124]
Ligand
BDBM493066
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
13.3±n/a nM
Citation
 Bacani, GM; Chai, W; Koudriakova, T; Krawczuk, PJ; Kreutter, KD; Leonard, K; Rizzolio, MC; Seierstad, M; Smith, RC; Tichenor, MS; Venable, JD; Wang, A Imidazopyrrolopyridine as inhibitors of the JAK family of kinases US Patent  US10981911 Publication Date 4/20/2021 
Target
Name:
Tyrosine-protein kinase JAK3 [512-1124]
Synonyms:
JAK3 | JAK3 (aa 512-1124) | JAK3_HUMAN
Type:
Protein
Mol. Mass.:
68951.94
Organism:
Homo sapiens (Human)
Description:
P52333[512-1124]
Residue:
613
Sequence:
TFHKIPADSLEWHENLGHGSFTKIYRGCRHEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQEFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGADGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFSGVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSLISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS
  
Inhibitor
Name:
BDBM493066
Synonyms:
2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(4-(hydroxymethyl)phenyl)acetamide | US10981911, Example 7
Type:
Small organic molecule
Emp. Form.:
C25H26N6O2
Mol. Mass.:
442.5129
SMILES:
OCc1ccc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1 |r,wU:25.28,wD:22.24,(-9.44,1.61,;-8.67,.28,;-7.13,.28,;-6.36,1.61,;-4.82,1.61,;-4.05,.28,;-2.51,.28,;-1.74,1.61,;-2.51,2.94,;-.2,1.61,;.57,.28,;-.05,-1.13,;1.09,-2.16,;1.09,-3.7,;2.43,-4.47,;3.76,-3.7,;5.22,-4.18,;6.13,-2.93,;5.22,-1.69,;3.76,-2.16,;2.43,-1.39,;2.11,.12,;3.19,1.2,;4.68,.81,;5.77,1.89,;5.37,3.38,;6.46,4.47,;7.95,4.07,;9.44,3.67,;3.88,3.78,;2.8,2.69,;-4.82,-1.06,;-6.36,-1.06,)|
Structure:
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