Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK3 [512-1124]
Ligand
BDBM493079
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
31.8±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:
BDBM493079
Synonyms:
N-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetamide | US10981911, Example 19
Type:
Small organic molecule
Emp. Form.:
C26H31N7O
Mol. Mass.:
457.5706
SMILES:
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.21,28.32,wD:15.17,25.28,(-5.97,-1.62,;-5.2,-.29,;-3.66,-.29,;-2.89,-1.62,;-3.52,-3.03,;-2.38,-4.06,;-2.39,-5.6,;-1.06,-6.38,;.28,-5.61,;1.74,-6.1,;2.65,-4.86,;1.75,-3.61,;.28,-4.07,;-1.05,-3.3,;-1.36,-1.79,;-.27,-.7,;1.22,-1.1,;2.31,-.01,;1.91,1.48,;3,2.56,;4.48,2.17,;5.97,1.77,;.42,1.87,;-.67,.79,;-5.97,1.04,;-5.2,2.38,;-3.66,2.38,;-2.89,3.71,;-3.66,5.05,;-2.89,6.38,;-1.35,6.38,;.19,6.38,;-5.2,5.05,;-5.97,3.71,)|
Structure:
Search PDB for entries with ligand similarity: