Reaction Details  Report a problem with these data
Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand
BDBM50538854
Substrate
n/a
Meas. Tech.
ChEMBL_1977247 (CHEMBL4610382)
EC50
11±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:
BDBM50538854
Synonyms:
CHEMBL4632361
Type:
Small organic molecule
Emp. Form.:
C23H22Cl2N4O3
Mol. Mass.:
473.352
SMILES:
CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(N)=O)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.22,(83.6,-8.77,;82.27,-8.02,;82.26,-6.47,;80.94,-8.8,;80.94,-10.35,;79.61,-11.12,;78.27,-10.36,;76.93,-11.13,;75.6,-10.37,;75.6,-8.82,;76.93,-8.04,;78.27,-8.81,;79.6,-8.03,;79.59,-6.49,;78.26,-5.73,;76.94,-6.51,;75.61,-5.74,;75.6,-4.21,;76.93,-3.44,;78.26,-4.2,;74.27,-3.44,;74.27,-1.91,;72.73,-3.44,;74.27,-8.04,;72.94,-8.82,;71.61,-8.05,;70.27,-8.83,;71.6,-6.5,;70.26,-5.74,;72.94,-5.73,;72.94,-4.2,;74.27,-6.5,)|
Structure:
Search PDB for entries with ligand similarity: