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Target
Tyrosine-protein kinase JAK1 [574-1154]
Ligand
BDBM505116
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
1.000±n/a nM
Citation
 Fernandes, P; Krawczuk, PJ; Tichenor, MS Small molecule inhibitors of the JAK family of kinases US Patent  US11066406 Publication Date 7/20/2021 
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:
BDBM505116
Synonyms:
US11066406, Ex. 10
Type:
Small organic molecule
Emp. Form.:
C27H31N7O
Mol. Mass.:
469.5813
SMILES:
O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;4.83,-.98,;4.51,-2.48,;3.05,-2.96,;2.73,-4.46,;1.26,-4.94,;-.2,-5.42,;1.91,-1.93,;2.23,-.42,;9.42,1.42,;10.75,2.19,;10.75,3.73,;12.09,4.5,;13.42,3.73,;14.75,4.5,;16.09,3.73,;17.42,2.96,;13.42,2.19,;12.09,1.42,;12.28,2.62,)|
Structure:
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