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Target
Tyrosine-protein kinase JAK2
Ligand
BDBM255032
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
1.9±n/a nM
Citation
 Takahashi, K; Watanabe, T; Hayashi, K; Kurihara, K; Nakamura, T; Yamamoto, A; Nishimura, T; Kamiyama, T; Hidaka, Y Tricyclic pyrrolopyridine compound, and JAK inhibitor US Patent  US9475813 Publication Date 10/25/2016 
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:
BDBM255032
Synonyms:
US9475813, 53
Type:
Small organic molecule
Emp. Form.:
C20H25N5O2
Mol. Mass.:
367.4448
SMILES:
CN1CN([C@H]2CC[C@H](COCCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O |r,wU:4.3,wD:7.7,(,-12.32,;,-10.78,;1.33,-10.01,;1.33,-8.47,;2.67,-7.7,;2.67,-6.16,;4,-5.39,;5.33,-6.16,;6.67,-5.39,;8,-6.16,;9.34,-5.39,;10.67,-6.16,;12,-5.39,;13.34,-4.62,;5.33,-7.7,;4,-8.47,;,-7.7,;-1.33,-8.47,;-2.67,-7.7,;-2.67,-6.16,;-1.33,-5.39,;-1.01,-3.88,;.52,-3.72,;1.14,-5.13,;,-6.16,;-1.33,-10.01,;-2.67,-10.78,)|
Structure:
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