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Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand
BDBM50581222
Substrate
n/a
Meas. Tech.
ChEMBL_2150101 (CHEMBL5034563)
Ki
59±n/a nM
Citation
 Lee Walmsley, D; Murray, JB; Dokurno, P; Massey, AJ; Benwell, K; Fiumana, A; Foloppe, N; Ray, S; Smith, J; Surgenor, AE; Edmonds, T; Demarles, D; Burbridge, M; Cruzalegui, F; Kotschy, A; Hubbard, RE Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J Med Chem 64:8971-8991 (2021) [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:
BDBM50581222
Synonyms:
CHEMBL5091537
Type:
Small organic molecule
Emp. Form.:
C15H11F2N5
Mol. Mass.:
299.2781
SMILES:
Cc1nc(N)c2c(C#N)c(-c3cccc(F)c3F)n(C)c2n1 |(67.73,-22.18,;66.4,-21.41,;65.06,-22.19,;63.72,-21.41,;62.38,-22.19,;63.72,-19.87,;62.58,-18.84,;61.07,-19.16,;59.55,-19.48,;63.2,-17.43,;62.43,-16.1,;60.9,-16.1,;60.13,-14.78,;60.9,-13.43,;62.44,-13.43,;63.2,-12.1,;63.21,-14.76,;64.74,-14.76,;64.74,-17.59,;65.77,-16.44,;65.06,-19.1,;66.4,-19.87,)|
Structure:
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