Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK1 [866-1154]
Ligand
BDBM410156
Substrate
n/a
Meas. Tech.
Caliper mobility shift assay
IC50
>10000±n/a nM
Citation
 Gauvry, N; Tahtaoui, C; Furet, P; Ducray, P Heterocyclyl-substituted cyclohexylsulfonamides as JAK inhibitors US Patent  US10370375 Publication Date 8/6/2019 
Target
Name:
Tyrosine-protein kinase JAK1 [866-1154]
Synonyms:
JAK1 | JAK1 (aa 866-1154) | JAK1A | JAK1B | JAK1_HUMAN | Tyrosine-protein kinase JAK1 | Tyrosine-protein kinase JAK1 (aa 866-1154)
Type:
Protein
Mol. Mass.:
33185.74
Organism:
Homo sapiens (Human)
Description:
P23458[866-1154]
Residue:
289
Sequence:
DPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
  
Inhibitor
Name:
BDBM410156
Synonyms:
US10370375, Example 4
Type:
Small organic molecule
Emp. Form.:
C20H26N6O2S
Mol. Mass.:
414.524
SMILES:
CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(nc12)-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;2.87,-1.29,;3.64,-2.63,;5.18,-2.63,;5.95,-1.29,;5.18,.04,;3.64,.04,)|
Structure:
Search PDB for entries with ligand similarity: