Reaction Details  Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM50559293
Substrate
n/a
Meas. Tech.
ChEMBL_2068561 (CHEMBL4723814)
IC50
51±n/a nM
Citation
 Yang, T; Hu, M; Chen, Y; Xiang, M; Tang, M; Qi, W; Shi, M; He, J; Yuan, X; Zhang, C; Liu, K; Li, J; Yang, Z; Chen, L -(Pyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-6-amine Derivatives as Selective Janus Kinase 2 Inhibitors for the Treatment of Myeloproliferative Neoplasms. J Med Chem 63:14921-14936 (2020) [PubMed]  Article
Target
Name:
Tyrosine-protein kinase JAK2
Synonyms:
2.7.10.2 | JAK-2 | JAK2_MOUSE | Jak2 | Janus kinase 2
Type:
PROTEIN
Mol. Mass.:
130609.65
Organism:
Mus musculus
Description:
ChEMBL_117193
Residue:
1132
Sequence:
MGMACLTMTEMEATSTSPVHQNGDIPGSANSVKQIEPVLQVYLYHSLGQAEGEYLKFPSGEYVAEEICVAASKACGITPVYHNMFALMSETERIWYPPNHVFHIDESTRHDILYRIRFYFPHWYCSGSSRTYRYGVSRGAEAPLLDDFVMSYLFAQWRHDFVHGWIKVPVTHETQEECLGMAVLDMMRIAKEKDQTPLAVYNSVSYKTFLPKCVRAKIQDYHILTRKRIRYRFRRFIQQFSQCKATARNLKLKYLINLETLQSAFYTEQFEVKESARGPSGEEIFATIIITGNGGIQWSRGKHKESETLTEQDVQLYCDFPDIIDVSIKQANQECSNESRIVTVHKQDGKVLEIELSSLKEALSFVSLIDGYYRLTADAHHYLCKEVAPPAVLENIHSNCHGPISMDFAISKLKKAGNQTGLYVLRCSPKDFNKYFLTFAVERENVIEYKHCLITKNENGEYNLSGTKRNFSNLKDLLNCYQMETVRSDSIIFQFTKCCPPKPKDKSNLLVFRTNGISDVQISPTLQRHNNVNQMVFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHKTEVLLKVLDKAHRNYSESFFEAASMMSQLSHKHLVLNYGVCVCGEENILVQEFVKFGSLDTYLKKNKNSINILWKLGVAKQLAWAMHFLEEKSLIHGNVCAKNILLIREEDRRTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDKHQLPAPKWTELANLINNCMDYEPDFRPAFRAVIRDLNSLFTPDYELLTENDMLPNMRIGALGFSGAFEDRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLRLIMEYLPYGSLRDYLQKHKERIDHKKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPVEFMRMIGNDKQGQMIVFHLIELLKSNGRLPRPEGCPDEIYVIMTECWNNNVSQRPSFRDLSLRVDQIRDSIAA
  
Inhibitor
Name:
BDBM50559293
Synonyms:
CHEMBL4789273
Type:
Small organic molecule
Emp. Form.:
C31H32N6O2
Mol. Mass.:
520.6248
SMILES:
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)\C=C\C(=O)c2ccc(C)cc2)ncc1C
Structure:
Search PDB for entries with ligand similarity: