Reaction Details Report a problem with these data
Target
MAP kinase-activated protein kinase 2 [46-400]
Ligand
BDBM605830
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
>10000±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:
BDBM605830
Synonyms:
US11680056, Example 18A | US11680056, Example 18B | US11680056, Example 18C | US11680056, Example 18D
Type:
Small organic molecule
Emp. Form.:
C26H21ClF2N4O3
Mol. Mass.:
510.92
SMILES:
Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccc2CC[C@@H](O)c2n1 |r,wU:32.35,(5.83,-60.18,;4.37,-60.65,;4.07,-62.16,;2.61,-62.66,;1.45,-61.65,;1.75,-60.14,;3.21,-59.64,;3.55,-58.14,;5,-57.62,;6.18,-58.61,;5.27,-56.1,;4.09,-55.11,;4.43,-53.6,;5.91,-53.16,;7.03,-54.21,;6.58,-55.68,;7.63,-56.81,;9.13,-56.47,;10.22,-57.56,;9.58,-55,;8.53,-53.87,;8.99,-52.4,;2.65,-55.63,;1.48,-54.62,;2.37,-57.15,;.93,-57.67,;-.01,-62.15,;-.28,-63.66,;-1.73,-64.19,;-2.9,-63.19,;-4.43,-63.4,;-5.1,-62.02,;-3.99,-60.95,;-4.13,-59.42,;-2.63,-61.68,;-1.18,-61.15,)|
Structure:
Search PDB for entries with ligand similarity: