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Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand
BDBM50538837
Substrate
n/a
Meas. Tech.
ChEMBL_1977282 (CHEMBL4610417)
Kd
0.220000±n/a nM
Citation
 Allegretti, PA; Horton, TM; Abdolazimi, Y; Moeller, HP; Yeh, B; Caffet, M; Michel, G; Smith, M; Annes, JP Generation of highly potent DYRK1A-dependent inducers of human ?-Cell replication via Multi-Dimensional compound optimization. Bioorg Med Chem 28:0 (2020) [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:
BDBM50538837
Synonyms:
CHEMBL4645393
Type:
Small organic molecule
Emp. Form.:
C24H26Cl2N4O3
Mol. Mass.:
489.394
SMILES:
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(64.46,-8.98,;63.13,-8.22,;61.81,-8.99,;60.47,-8.22,;60.46,-6.68,;59.14,-9,;59.14,-10.55,;57.81,-11.32,;56.47,-10.56,;55.14,-11.33,;53.81,-10.57,;53.81,-9.02,;55.13,-8.25,;56.47,-9.02,;57.8,-8.24,;57.79,-6.7,;56.45,-5.94,;55.12,-6.71,;53.79,-5.95,;53.78,-4.41,;52.44,-3.65,;52.43,-2.12,;55.1,-3.63,;56.44,-4.4,;52.48,-8.25,;52.48,-6.71,;51.15,-5.94,;51.15,-4.4,;49.81,-6.71,;48.48,-5.94,;49.82,-8.26,;48.49,-9.04,;51.15,-9.02,)|
Structure:
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