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Target
Tyrosine-protein kinase JAK2
Ligand
BDBM159768
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
1150±n/a nM
Comments
extracted
Citation
 Brown, MF; Fenwick, AE; Flanagan, ME; Gonzales, A; Johnson, TA; Kaila, N; Mitton-Fry, MJ; Strohbach, JW; TenBrink, RE; Trzupek, JD; Unwalla, RJ; Vazquez, ML; Parikh, MD Pyrrolo[2,3-D]pyrimidine derivatives US Patent  US9035074 Publication Date 5/19/2015 
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:
BDBM159768
Synonyms:
US10966980, Example 19 | US9035074, 19
Type:
Small organic molecule
Emp. Form.:
C16H22N6O3S
Mol. Mass.:
378.449
SMILES:
CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1C[C@@H]2C[C@H](C1)O2)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,12.18,14.17,(-5.92,1.22,;-4.58,.45,;-3.25,1.22,;-2.85,2.71,;-1.37,2.31,;-1.76,.82,;-.03,3.08,;1.46,2.68,;1.85,4.17,;.69,1.35,;2.94,2.28,;3.34,.8,;4.83,.4,;4.43,1.88,;5.52,2.97,;4.03,3.37,;5.92,1.49,;-4.58,-1.09,;-5.92,-1.86,;-5.92,-3.4,;-4.58,-4.17,;-3.25,-3.4,;-1.79,-3.87,;-.88,-2.63,;-1.79,-1.38,;-3.25,-1.86,)|
Structure:
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