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Target
Tyrosine-protein kinase JAK1 [574-1154]
Ligand
BDBM493072
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
0.100±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 JAK1 [574-1154]
Synonyms:
JAK1 | JAK1 (aa 574-1154) | JAK1A | JAK1B | JAK1_HUMAN
Type:
Protein
Mol. Mass.:
66641.39
Organism:
Homo sapiens (Human)
Description:
P23458[574-1154]
Residue:
581
Sequence:
SFDRILKKDLVQGEHLGRGTRTHIYSGTLMDYKDDEGTSEEKKIKVILKVLDPSHRDISLAFFEAASMMRQVSHKHIVYLYGVCVRDVENIMVEEFVEGGPLDLFMHRKSDVLTTPWKFKVAKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSECGPFIKLSDPGIPITVLSRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPLKDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
  
Inhibitor
Name:
BDBM493072
Synonyms:
2-Cyano-N-((1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)methyl)ethanesulfonamide | US10981911, Example 13
Type:
Small organic molecule
Emp. Form.:
C20H23N7O2S
Mol. Mass.:
425.507
SMILES:
O=S(=O)(CCC#N)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(-3.28,1.12,;-4.82,1.12,;-6.36,1.12,;-4.82,2.66,;-6.15,3.43,;-6.15,4.97,;-6.15,6.51,;-4.82,-.42,;-3.28,-.42,;-2.51,-1.76,;-3.13,-3.17,;-1.99,-4.2,;-1.99,-5.74,;-.65,-6.51,;.68,-5.74,;2.14,-6.21,;3.05,-4.97,;2.14,-3.72,;.68,-4.2,;-.65,-3.43,;-.97,-1.92,;.11,-.83,;1.6,-1.23,;2.69,-.14,;2.29,1.35,;3.38,2.44,;4.87,2.04,;6.36,1.64,;.8,1.75,;-.28,.66,)|
Structure:
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