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Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand
BDBM50538831
Substrate
n/a
Meas. Tech.
ChEMBL_1977247 (CHEMBL4610382)
EC50
5.0±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:
BDBM50538831
Synonyms:
CHEMBL4633261
Type:
Small organic molecule
Emp. Form.:
C29H37Cl2N5O2
Mol. Mass.:
558.542
SMILES:
CCCCCNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:19.20,wD:22.24,(22.24,-47.64,;20.92,-48.41,;19.58,-47.65,;18.26,-48.42,;16.93,-47.66,;15.6,-48.43,;14.26,-47.67,;14.26,-46.13,;12.93,-48.45,;12.94,-50,;11.61,-50.77,;10.27,-50.01,;8.93,-50.78,;7.61,-50.01,;7.61,-48.47,;8.93,-47.69,;10.27,-48.46,;11.6,-47.68,;11.59,-46.14,;10.25,-45.38,;8.92,-46.16,;7.59,-45.4,;7.58,-43.86,;6.24,-43.09,;6.23,-41.56,;4.89,-40.8,;7.56,-40.79,;8.9,-43.08,;10.24,-43.84,;6.28,-47.69,;6.28,-46.15,;4.94,-45.39,;4.95,-43.85,;3.61,-46.15,;2.27,-45.39,;3.61,-47.7,;2.28,-48.48,;4.95,-48.47,)|
Structure:
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