Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK3 [512-1124]
Ligand
BDBM493107
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
38.9±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:
BDBM493107
Synonyms:
2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-((1S,4S)-4-hydroxycyclohexyl)acetamide | US10981911, Example 47
Type:
Small organic molecule
Emp. Form.:
C24H30N6O2
Mol. Mass.:
434.534
SMILES:
O[C@H]1CC[C@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:4.7,26.30,1.0,wD:23.26,(-8.94,.17,;-7.4,.17,;-6.63,1.5,;-5.09,1.5,;-4.32,.17,;-5.09,-1.17,;-6.63,-1.17,;-2.78,.17,;-2.01,1.5,;-2.78,2.83,;-.47,1.5,;.3,.17,;-.33,-1.24,;.81,-2.27,;.81,-3.81,;2.15,-4.58,;3.48,-3.81,;4.95,-4.29,;5.85,-3.04,;4.95,-1.8,;3.48,-2.27,;2.15,-1.5,;1.83,0,;2.86,1.15,;4.36,.83,;5.4,1.97,;4.92,3.44,;5.95,4.58,;7.46,4.26,;8.94,3.86,;3.41,3.76,;2.38,2.61,)|
Structure:
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