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Target
Tyrosine-protein kinase JAK1 [837-1142]
Ligand
BDBM523216
Substrate
n/a
Meas. Tech.
In Vitro JAK Kinase Assay
IC50
<100±n/a nM
Citation
 Li, Y; Zhu, W; Mei, S; Glenn, J Tricyclic fused thiophene derivatives as JAK inhibitors US Patent  US11161855 Publication Date 11/2/2021 
Target
Name:
Tyrosine-protein kinase JAK1 [837-1142]
Synonyms:
JAK1 | JAK1 (aa 837-1142) | JAK1A | JAK1B | JAK1_HUMAN | Tyrosine-protein kinase JAK1 | Tyrosine-protein kinase JAK1 (837-1142) | Tyrosine-protein kinase JAK1 (aa 837-1142)
Type:
n/a
Mol. Mass.:
35230.04
Organism:
Homo sapiens (Human)
Description:
P23458[837-1142]
Residue:
306
Sequence:
FFRAIMRDINKLEEQNPDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSF
  
Inhibitor
Name:
BDBM523216
Synonyms:
US11161855, Example 72 (second peak)
Type:
Small organic molecule
Emp. Form.:
C17H18N4OS
Mol. Mass.:
326.416
SMILES:
OC[C@@]1(CC[C@H](CC#N)CC1)n1cnc2cnc3ccsc3c12 |r,wU:5.5,wD:2.11,(-3.03,3.99,;-3.03,2.45,;-1.7,1.68,;-.61,.59,;.88,.99,;1.28,2.48,;2.77,2.88,;3.85,1.79,;4.94,.7,;.19,3.57,;-1.3,3.17,;-2.79,.59,;-4.32,.75,;-4.94,-.65,;-3.8,-1.68,;-3.8,-3.22,;-2.47,-3.99,;-1.13,-3.22,;.33,-3.7,;1.24,-2.45,;.33,-1.21,;-1.13,-1.68,;-2.47,-.91,)|
Structure:
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