Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM305838
Substrate
n/a
Meas. Tech.
JAK Caliper Enzyme Assay at 1 mM ATP
IC50
166±n/a nM
Citation
 Brown, MF; Dermenci, A; Fensome, A; Gerstenberger, BS; Hayward, MM; Owen, DR; Wright, SW; Xing, LH; Yang, X Pyrazolo[1,5-A]PYRAZIN-4-YL derivatives US Patent  US10144738 Publication Date 12/4/2018 
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:
BDBM305838
Synonyms:
(1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)cyclobutane-1-carbonitrile (trans isomer) | US10144738, Example 37 | US10822341, Example 37 | US11472809, Example 37
Type:
Small organic molecule
Emp. Form.:
C20H17N9O
Mol. Mass.:
399.4087
SMILES:
Cn1cc(-c2cn3nccc3c(n2)-c2cnn(c2)[C@@]2(CC#N)C[C@@H](C2)C#N)c(=O)[nH]1 |r,wU:18.20,wD:23.28,(4.47,-8.11,;3.7,-6.78,;2.23,-6.3,;2.23,-4.76,;.9,-3.99,;-.43,-4.76,;-1.77,-3.99,;-3.23,-4.47,;-4.14,-3.22,;-3.23,-1.98,;-1.77,-2.45,;-.43,-1.68,;.9,-2.45,;-.43,-.14,;.81,.76,;.34,2.23,;-1.2,2.23,;-1.68,.76,;-1.97,3.56,;-.43,3.56,;.34,4.89,;1.11,6.23,;-3.46,3.96,;-3.06,5.45,;-1.58,5.05,;-3.83,6.78,;-4.6,8.11,;3.7,-4.29,;4.47,-2.95,;4.6,-5.53,)|
Structure:
Search PDB for entries with ligand similarity: