Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM387822
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
2.10±n/a nM
Citation
 Koudriakova, T; Kreutter, KD; Leonard, K; Rizzolio, MC; Smith, RC; Tichenor, MS; Wang, A Small molecule inhibitors of the JAK family of kinases US Patent  US11059823 Publication Date 7/13/2021 
Target
Name:
Tyrosine-protein kinase JAK2
Synonyms:
JAK-2 | JAK2 | JAK2_HUMAN | Janus kinase 2 | Janus kinase 2 (JAK2) | Janus kinase 2 (a protein tyrosine kinase)
Type:
Protein
Mol. Mass.:
130684.68
Organism:
Homo sapiens (Human)
Description:
O60674
Residue:
1132
Sequence:
MGMACLTMTEMEGTSTSSIYQNGDISGNANSMKQIDPVLQVYLYHSLGKSEADYLTFPSGEYVAEEICIAASKACGITPVYHNMFALMSETERIWYPPNHVFHIDESTRHNVLYRIRFYFPRWYCSGSNRAYRHGISRGAEAPLLDDFVMSYLFAQWRHDFVHGWIKVPVTHETQEECLGMAVLDMMRIAKENDQTPLAIYNSISYKTFLPKCIRAKIQDYHILTRKRIRYRFRRFIQQFSQCKATARNLKLKYLINLETLQSAFYTEKFEVKEPGSGPSGEEIFATIIITGNGGIQWSRGKHKESETLTEQDLQLYCDFPNIIDVSIKQANQEGSNESRVVTIHKQDGKNLEIELSSLREALSFVSLIDGYYRLTADAHHYLCKEVAPPAVLENIQSNCHGPISMDFAISKLKKAGNQTGLYVLRCSPKDFNKYFLTFAVERENVIEYKHCLITKNENEEYNLSGTKKNFSSLKDLLNCYQMETVRSDNIIFQFTKCCPPKPKDKSNLLVFRTNGVSDVPTSPTLQRPTHMNQMVFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAELANLINNCMDYEPDFRPSFRAIIRDLNSLFTPDYELLTENDMLPNMRIGALGFSGAFEDRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG
  
Inhibitor
Name:
BDBM387822
Synonyms:
2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)acetamide | US10294226, Compound Ex. 5 | US10487083, Example 5 | US10981911, Example 5 | US11059823, Example 5
Type:
Small organic molecule
Emp. Form.:
C23H28N6O2
Mol. Mass.:
420.5074
SMILES:
O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC1CCOCC1 |r,wU:18.21,wD:15.17,(-3.56,.17,;-2.79,1.5,;-1.25,1.5,;-.48,.17,;-1.11,-1.24,;.04,-2.27,;.04,-3.81,;1.37,-4.58,;2.7,-3.81,;4.17,-4.29,;5.07,-3.04,;4.17,-1.8,;2.7,-2.27,;1.37,-1.5,;1.05,0,;2.08,1.15,;3.59,.83,;4.62,1.97,;4.14,3.44,;5.17,4.58,;6.68,4.26,;8.18,3.94,;2.63,3.76,;1.6,2.61,;-3.56,2.83,;-5.1,2.83,;-5.87,4.17,;-7.41,4.17,;-8.18,2.83,;-7.41,1.5,;-5.87,1.5,)|
Structure:
Search PDB for entries with ligand similarity: