Reaction Details Report a problem with these data
Target
MAP kinase-activated protein kinase 2 [46-400]
Ligand
BDBM605825
Substrate
n/a
IC50
5012±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:
BDBM605825
Synonyms:
US11680056, Example 10
Type:
Small organic molecule
Emp. Form.:
C28H26ClF2N5O3
Mol. Mass.:
553.988
SMILES:
Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1cc(nc(n1)C(C)(C)O)C1CC1 |wU:6.5,(6.23,-23.93,;4.89,-24.7,;4.89,-26.24,;3.56,-27.01,;2.23,-26.24,;2.23,-24.7,;3.56,-23.93,;3.56,-22.39,;4.89,-21.62,;6.23,-22.39,;4.89,-20.08,;3.56,-19.31,;3.56,-17.77,;4.89,-17,;6.23,-17.77,;6.23,-19.31,;7.56,-20.08,;8.89,-19.31,;10.23,-20.08,;8.89,-17.77,;7.56,-17,;7.56,-15.46,;2.23,-20.08,;.89,-19.31,;2.23,-21.62,;.89,-22.39,;.89,-27.01,;.89,-28.55,;-.44,-29.32,;-1.78,-28.55,;-1.78,-27.01,;-.44,-26.24,;-3.11,-26.24,;-4.2,-25.15,;-2.02,-25.15,;-4.44,-27.01,;-.44,-30.86,;-1.21,-32.2,;.33,-32.2,)|
Structure:
Search PDB for entries with ligand similarity: