Target
Tyrosine-protein kinase JAK2
Ligand
BDBM305821
Substrate
n/a
Meas. Tech.
ChEMBL_1876071 (CHEMBL4377465)
IC50
74±n/a nM
Citation
 Wrobleski, STMoslin, RLin, SZhang, YSpergel, SKempson, JTokarski, JSStrnad, JZupa-Fernandez, ACheng, LShuster, DGillooly, KYang, XHeimrich, EMcIntyre, KWChaudhry, CKhan, JRuzanov, MTredup, JMulligan, DXie, DSun, HHuang, CD'Arienzo, CAranibar, NChiney, MChimalakonda, APitts, WJLombardo, LCarter, PHBurke, JRWeinstein, DS Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165. J Med Chem 62:8973-8995 (2019) [PubMed]  Article 
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:
BDBM305821
Synonyms:
(1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)cyclobutane-1-carbonitrile | US10144738, Example 20 | US10822341, Example 20 | US11472809, Example 20
Type:
Small organic molecule
Emp. Form.:
C20H17N9
Mol. Mass.:
383.4093
SMILES:
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)|
Structure:
Search PDB for entries with ligand similarity: