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Target
Tyrosine-protein kinase JAK2 [Y1007F,Y1008F]
Ligand
BDBM607960
Substrate
n/a
Meas. Tech.
JAK2 Binding Assay
Kd
<10±n/a nM
Citation
 Masse, CE; Greenwood, JR; Mondal, S; Xu, J; Ghanakota, P; McRobb, FM; Boyles, N 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors US Patent  US11691963 Publication Date 7/4/2023 
Target
Name:
Tyrosine-protein kinase JAK2 [Y1007F,Y1008F]
Synonyms:
Tyrosine-protein kinase JAK2 (Y1007F, Y1008F)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
130652.68
Organism:
Homo sapiens (Human)
Description:
O60674[Y1007F,Y1008F]
Residue:
1132
Sequence:
MGMACLTMTEMEGTSTSSIYQNGDISGNANSMKQIDPVLQVYLYHSLGKSEADYLTFPSGEYVAEEICIAASKACGITPVYHNMFALMSETERIWYPPNHVFHIDESTRHNVLYRIRFYFPRWYCSGSNRAYRHGISRGAEAPLLDDFVMSYLFAQWRHDFVHGWIKVPVTHETQEECLGMAVLDMMRIAKENDQTPLAIYNSISYKTFLPKCIRAKIQDYHILTRKRIRYRFRRFIQQFSQCKATARNLKLKYLINLETLQSAFYTEKFEVKEPGSGPSGEEIFATIIITGNGGIQWSRGKHKESETLTEQDLQLYCDFPNIIDVSIKQANQEGSNESRVVTIHKQDGKNLEIELSSLREALSFVSLIDGYYRLTADAHHYLCKEVAPPAVLENIQSNCHGPISMDFAISKLKKAGNQTGLYVLRCSPKDFNKYFLTFAVERENVIEYKHCLITKNENEEYNLSGTKKNFSSLKDLLNCYQMETVRSDNIIFQFTKCCPPKPKDKSNLLVFRTNGVSDVPTSPTLQRPTHMNQMVFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAELANLINNCMDYEPDFRPSFRAIIRDLNSLFTPDYELLTENDMLPNMRIGALGFSGAFEDRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEFFKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG
  
Inhibitor
Name:
BDBM607960
Synonyms:
US11691963, Example I-122
Type:
Small organic molecule
Emp. Form.:
C33H38N8O3
Mol. Mass.:
594.7066
SMILES:
CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(n(n4)[C@H]4C[C@@H](C4)OCc4ccccc4)C(C)(C)C)n(C)c3c2C)ccn1 |r,wU:20.20,wD:22.25,(-14.52,2,;-13.18,1.23,;-13.18,-.31,;-11.85,2,;-10.51,1.23,;-9.18,2,;-7.85,1.23,;-6.51,2,;-5.18,1.23,;-5.18,-.31,;-3.85,-1.08,;-2.51,-.31,;-1.05,-.79,;-.14,.46,;1.4,.46,;2.17,-.87,;1.54,-2.28,;2.69,-3.31,;4.02,-2.54,;3.7,-1.04,;5.43,-3.17,;6.86,-2.62,;7.44,-4.06,;5.98,-4.61,;8.84,-4.69,;10.09,-3.78,;11.5,-4.41,;12.74,-3.5,;14.15,-4.13,;14.31,-5.66,;13.06,-6.57,;11.66,-5.94,;2.52,-4.84,;1.12,-5.47,;3.77,-5.75,;2.52,-6.38,;-1.05,1.71,;-.57,3.17,;-2.51,1.23,;-3.85,2,;-3.85,3.54,;-7.85,-.31,;-9.18,-1.08,;-10.51,-.31,)|
Structure:
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