Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1 [574-1154]
Ligand
BDBM505111
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
0.300±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:
BDBM505111
Synonyms:
US11066406, Ex. 5
Type:
Small organic molecule
Emp. Form.:
C23H28N6O2
Mol. Mass.:
420.5074
SMILES:
O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC1CCOCC1 |(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,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;10.75,-.89,;10.75,-2.43,;9.42,-3.2,;8.08,-2.43,;8.08,-.89,)|
Structure:
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