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Target
Tyrosine-protein kinase JAK2
Ligand
BDBM398506
Substrate
n/a
Meas. Tech.
JAK1, JAK2 and JAK3 In Vitro Enzyme Assays
IC50
220±120 nM
Citation
 Bastian, JA; Clayton, JR; Coates, DA; Sall, DJ; Woods, TA Pyrazolylaminobenzimidazole derivatives as JAK inhibitors US Patent  US10323019 Publication Date 6/18/2019
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:
BDBM398506
Synonyms:
(2R)-1,1,1-Trifluoro-3-({cis-4-[(1-methyl-4-{[1-(pyridin-2-yl)-1H-pyrazol-3-yl]amino}-1H-benzimidazol-6-yl)oxy]cyclohexyl}amino)propan-2-ol | US10323019, Example 10
Type:
Small organic molecule
Emp. Form.:
C25H28F3N7O2
Mol. Mass.:
515.5307
SMILES:
Cn1cnc2c(Nc3ccn(n3)-c3ccccn3)cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc12 |r,wU:24.29,21.22,wD:29.32,(5.56,.1,;5.16,-1.39,;6.07,-2.63,;5.16,-3.88,;3.7,-3.4,;2.36,-4.17,;2.36,-5.71,;1.03,-6.48,;.71,-7.99,;-.82,-8.15,;-1.45,-6.74,;-.3,-5.71,;-2.99,-6.74,;-3.76,-5.4,;-5.3,-5.4,;-6.07,-6.74,;-5.3,-8.07,;-3.76,-8.07,;1.03,-3.4,;1.03,-1.86,;-.3,-1.09,;-.3,.45,;1.03,1.22,;1.03,2.76,;-.3,3.53,;-1.64,2.76,;-1.64,1.22,;-.3,5.07,;-1.64,5.84,;-1.64,7.38,;-.3,8.15,;-2.97,8.15,;-2.97,9.69,;-4.3,7.38,;-4.3,8.92,;2.36,-1.09,;3.7,-1.86,)|
Structure:
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