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Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand
BDBM50538832
Substrate
n/a
Meas. Tech.
ChEMBL_1977247 (CHEMBL4610382)
EC50
6.0±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:
BDBM50538832
Synonyms:
CHEMBL4646187
Type:
Small organic molecule
Emp. Form.:
C28H35Cl2N5O2
Mol. Mass.:
544.516
SMILES:
CC(C)CNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.19,wD:21.23,(43.79,-47.98,;42.47,-48.75,;42.47,-50.29,;41.14,-47.99,;39.81,-48.76,;38.47,-48,;38.46,-46.46,;37.14,-48.78,;37.15,-50.33,;35.82,-51.1,;34.48,-50.34,;33.14,-51.11,;31.82,-50.34,;31.82,-48.8,;33.14,-48.03,;34.48,-48.79,;35.8,-48.02,;35.8,-46.48,;34.46,-45.72,;33.13,-46.49,;31.8,-45.73,;31.79,-44.19,;30.45,-43.43,;30.44,-41.89,;29.1,-41.14,;31.77,-41.12,;33.11,-43.41,;34.45,-44.18,;30.49,-48.03,;30.49,-46.49,;29.16,-45.72,;29.16,-44.18,;27.82,-46.49,;26.48,-45.72,;27.83,-48.03,;26.49,-48.81,;29.16,-48.8,)|
Structure:
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