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Target
Tyrosine-protein kinase JAK1 [574-1154]
Ligand
BDBM493089
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:
BDBM493089
Synonyms:
2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(2-hydroxyethyl)acetamide | US10981911, Example 29
Type:
Small organic molecule
Emp. Form.:
C20H24N6O2
Mol. Mass.:
380.4436
SMILES:
OCCNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.25,wD:19.21,(-7.9,-1.05,;-6.36,-1.05,;-5.59,.28,;-4.05,.28,;-3.28,1.62,;-4.05,2.95,;-1.74,1.62,;-.97,.28,;-1.6,-1.12,;-.46,-2.16,;-.47,-3.7,;.86,-4.47,;2.2,-3.71,;3.66,-4.19,;4.58,-2.95,;3.68,-1.7,;2.21,-2.17,;.88,-1.39,;.57,.12,;1.65,1.2,;3.14,.81,;4.23,1.9,;3.83,3.38,;4.92,4.47,;6.41,4.07,;7.9,3.67,;2.34,3.78,;1.26,2.69,)|
Structure:
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