Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1 [861-1152]
Ligand
BDBM174034
Substrate
n/a
Meas. Tech.
JAK1 Kinase Assay
IC50
9.00±n/a nM
Citation
 Brasca, MG; Bindi, S; Caldarelli, M; Nesi, M; Orrenius, SC; Panzeri, A Substituted pyrroles active as kinases inhibitors US Patent  US9688661 Publication Date 6/27/2017 
Target
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:
PATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEAL
  
Inhibitor
Name:
BDBM174034
Synonyms:
US9688661, 5-(6-Aminopyrimidin-4-yl)-2-[2-ethyl-5-(trifluoromethyl)phenyl]-N-methyl-1H-pyrrole-3-carboxamide (compd 321)
Type:
Small organic molecule
Emp. Form.:
C19H18F3N5O
Mol. Mass.:
389.3743
SMILES:
CCc1ccc(cc1-c1c(cc(-c2cc(N)ncn2)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,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;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: