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Target
Tyrosine-protein kinase JAK3 [512-1124]
Ligand
BDBM493156
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
18.7±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:
BDBM493156
Synonyms:
(EZ)—N-((1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)methyl)-2-cyclohexyl-N-hydroxyacetimidamide | US10981911, Example 95
Type:
Small organic molecule
Emp. Form.:
C25H33N7O
Mol. Mass.:
447.5758
SMILES:
O\N=C(/CC1CCCCC1)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:27.31,wD:24.27,(-3.59,5.04,;-2.81,3.72,;-3.56,2.38,;-5.1,2.38,;-5.87,1.04,;-7.41,1.04,;-8.18,-.29,;-7.41,-1.63,;-5.87,-1.63,;-5.1,-.29,;-2.78,1.05,;-1.24,1.05,;-.48,-.29,;-1.11,-1.69,;.03,-2.73,;.02,-4.27,;1.35,-5.04,;2.69,-4.28,;4.15,-4.76,;5.06,-3.52,;4.16,-2.27,;2.7,-2.74,;1.37,-1.96,;1.05,-.46,;2.09,.68,;3.59,.36,;4.63,1.5,;4.16,2.96,;5.19,4.1,;6.7,3.78,;8.18,3.42,;2.65,3.29,;1.62,2.15,)|
Structure:
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