Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase JAK1 [861-1152]
LigandBDBM174037
Substrate/Competitorn/a
Meas. Tech.JAK1 Kinase Assay
IC50 6.00±n/a nM
Citation Brasca, MGBindi, SCaldarelli, MNesi, MOrrenius, SCPanzeri, A Substituted pyrroles active as kinases inhibitors US Patent US9688661 Publication Date 6/27/2017
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase JAK1 [861-1152]
Name:Tyrosine-protein kinase JAK1 [861-1152]
Synonyms:JAK1 | JAK1A | JAK1B | JAK1_HUMAN | Tyrosine-protein kinase JAK1 (JAK1)
Type:Protein
Mol. Mass.:33439.94
Organism:Homo sapiens (Human)
Description:Human JAK1 variant (861-1152 aa)
Residue:292
Sequence:
PATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIA
DLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQ
LKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDD
RDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMT
VTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM174037
n/a
NameBDBM174037
Synonyms:US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide (compd 323)
TypeSmall organic molecule
Emp. Form.C21H18F3N5O
Mol. Mass.413.3957
SMILESCCc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: