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Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand
BDBM50440393
Substrate
n/a
Meas. Tech.
ChEMBL_981761 (CHEMBL2426842)
IC50
440±n/a nM
Citation
 Yoshida, K; Itoyama, R; Yamahira, M; Tanaka, J; Loaëc, N; Lozach, O; Durieu, E; Fukuda, T; Ishibashi, F; Meijer, L; Iwao, M Synthesis, resolution, and biological evaluation of atropisomeric (aR)- and (aS)-16-methyllamellarins N: unique effects of the axial chirality on the selectivity of protein kinases inhibition. J Med Chem 56:7289-301 (2013) [PubMed]  Article 
Target
Name:
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Synonyms:
DYR1A_HUMAN | DYRK | DYRK1A | Dual specificity YAK1-related kinase | Dual specificity YAK1-related kinase 1A (Dyrk1A) | Dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | Dual-specificity tyrosine-regulated kinases 1A | HP86 | MNB | MNBH
Type:
Enzyme
Mol. Mass.:
85616.61
Organism:
Homo sapiens (Human)
Description:
Q13627
Residue:
763
Sequence:
MHTGGETSACKPSSVRLAPSFSFHAAGLQMAGQMPHSHQYSDRRQPNISDQQVSALSYSDQIQQPLTNQVMPDIVMLQRRMPQTFRDPATAPLRKLSVDLIKTYKHINEVYYAKKKRRHQQGQGDDSSHKKERKVYNDGYDDDNYDYIVKNGEKWMDRYEIDSLIGKGSFGQVVKAYDRVEQEWVAIKIIKNKKAFLNQAQIEVRLLELMNKHDTEMKYYIVHLKRHFMFRNHLCLVFEMLSYNLYDLLRNTNFRGVSLNLTRKFAQQMCTALLFLATPELSIIHCDLKPENILLCNPKRSAIKIVDFGSSCQLGQRIYQYIQSRFYRSPEVLLGMPYDLAIDMWSLGCILVEMHTGEPLFSGANEVDQMNKIVEVLGIPPAHILDQAPKARKFFEKLPDGTWNLKKTKDGKREYKPPGTRKLHNILGVETGGPGGRRAGESGHTVADYLKFKDLILRMLDYDPKTRIQPYYALQHSFFKKTADEGTNTSNSVSTSPAMEQSQSSGTTSSTSSSSGGSSGTSNSGRARSDPTHQHRHSGGHFTAAVQAMDCETHSPQVRQQFPAPLGWSGTEAPTQVTVETHPVQETTFHVAPQQNALHHHHGNSSHHHHHHHHHHHHHGQQALGNRTRPRVYNSPTNSSSTQDSMEVGHSHHSMTSLSSSTTSSSTSSSSTGNQGNQAYQNRPVAANTLDFGQNGAMDVNLTVYSNPRQETGIAGHPTYQFSANTGPAHYMTEGHLTMRQGADREESPMTGVCVQQSPVASS
  
Inhibitor
Name:
BDBM50440393
Synonyms:
CHEMBL2425487
Type:
Small organic molecule
Emp. Form.:
C29H23NO8
Mol. Mass.:
513.4948
SMILES:
COc1cc(C)c(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 |(16.62,-7.37,;16.15,-8.84,;17.19,-9.98,;18.7,-9.65,;19.73,-10.79,;20.82,-9.69,;19.26,-12.26,;17.76,-12.59,;16.72,-11.45,;15.22,-11.78,;20.29,-13.4,;21.81,-13.23,;22.44,-14.64,;21.3,-15.66,;21.32,-17.21,;19.98,-17.98,;18.65,-17.22,;17.32,-17.99,;15.98,-17.22,;14.65,-17.99,;15.98,-15.68,;14.65,-14.91,;14.65,-13.37,;17.31,-14.91,;18.65,-15.67,;19.97,-14.9,;23.96,-14.8,;24.58,-16.21,;24.87,-13.56,;24.25,-12.15,;25.16,-10.91,;24.53,-9.49,;25.44,-8.25,;22.99,-9.33,;22.36,-7.93,;23.26,-6.68,;22.08,-10.58,;22.71,-11.99,)|
Structure:
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