Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK2 [828-1132]
Ligand
BDBM344064
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 JAK2 [828-1132]
Synonyms:
JAK2 | JAK2_HUMAN | Tyrosine-protein kinase JAK2 (aa 828-1132)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
35522.23
Organism:
Homo sapiens (Human)
Description:
aa 828-1132
Residue:
304
Sequence:
ALGFSGAFEDRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG
  
Inhibitor
Name:
BDBM344064
Synonyms:
US10370387, Example 48 | US11161855, Example 48 | US9777017, Example 48 | US9908895, Example 48
Type:
Small organic molecule
Emp. Form.:
C17H18N4S
Mol. Mass.:
310.417
SMILES:
Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:13.15,wD:16.19,(-4.98,1.37,;-3.89,.28,;-4.51,-1.13,;-3.37,-2.16,;-3.37,-3.7,;-2.04,-4.47,;-.7,-3.7,;.76,-4.18,;1.67,-2.93,;.76,-1.69,;-.7,-2.16,;-2.04,-1.39,;-2.36,.12,;-1.27,1.2,;-1.66,2.69,;-.58,3.78,;.91,3.38,;2,4.47,;3.49,4.07,;4.98,3.67,;1.31,1.89,;.22,.81,)|
Structure:
Search PDB for entries with ligand similarity: