Reaction Details Report a problem with these data
Target
MAP kinase-activated protein kinase 2 [46-400]
Ligand
BDBM605738
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
15.8±n/a nM
Citation
 Trzoss, L; Dong, Q; Kaldor, SW; Hoffman, RL MK2 inhibitors and uses thereof US Patent  US11680056 Publication Date 6/20/2023 
Target
Name:
MAP kinase-activated protein kinase 2 [46-400]
Synonyms:
MAP kinase-activated protein kinase 2 (46-400) (MK2) | MAPK2_HUMAN | MAPKAPK2
Type:
Protein
Mol. Mass.:
40937.12
Organism:
Homo sapiens (Human)
Description:
aa 46-400
Residue:
355
Sequence:
FHVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTSHNSLTTPCYTPYYVAPEVLGPEKYDKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSALATMRVDYEQIKIKKIEDASNPLLLKRRKKARALEAAALAH
  
Inhibitor
Name:
BDBM605738
Synonyms:
US11680056, Example 4 | US11680056, Example 4A | US11680056, Example 4B
Type:
Small organic molecule
Emp. Form.:
C26H24ClF2N5O3
Mol. Mass.:
527.95
SMILES:
Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)CO |(6.14,-26.65,;4.81,-27.42,;4.81,-28.96,;3.48,-29.73,;2.14,-28.96,;2.14,-27.42,;3.48,-26.65,;3.48,-25.11,;4.81,-24.34,;6.14,-25.11,;4.81,-22.8,;3.48,-22.03,;3.48,-20.49,;4.81,-19.72,;6.14,-20.49,;6.14,-22.03,;7.48,-22.8,;8.81,-22.03,;10.14,-22.8,;8.81,-20.49,;7.48,-19.72,;7.48,-18.18,;2.14,-22.8,;.81,-22.03,;2.14,-24.34,;.81,-25.11,;.81,-29.73,;.81,-31.27,;-.53,-32.04,;-1.86,-31.27,;-1.86,-29.73,;-.53,-28.96,;-3.19,-28.96,;-3.19,-27.42,;-4.53,-28.19,;-3.96,-30.29,;-5.5,-30.29,)|
Structure:
Search PDB for entries with ligand similarity: