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Target
MAP kinase-activated protein kinase 5 Isoform 2
Ligand
BDBM605901
Substrate
n/a
IC50
6.31±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 5 Isoform 2
Synonyms:
MAPK5_HUMAN | MAPKAPK5 | PRAK | p38-regulated/activated protein kinase (PRAK)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
54043.69
Organism:
Homo sapiens (Human)
Description:
Q8IW41-2
Residue:
471
Sequence:
MSEESDMDKAIKETSILEEYSINWTQKLGAGISGPVRVCVKKSTQERFALKILLDRPKARNEVRLHMMCATHPNIVQIIEVFANSVQFPHESSPRARLLIVMEMMEGGELFHRISQHRHFTEKQASQVTKQIALALRHCHLLNIAHRDLKPENLLFKDNSLDAPVKLCDFGFAKIDQGDLMTPQFTPYYVAPQVLEAQRRHQKEKSGIIPTSPTPYTYNKSCDLWSLGVIIYVMLCGYPPFYSKHHSRTIPKDMRRKIMTGSFEFPEEEWSQISEMAKDVVRKLLKVKPEERLTIEGVLDHPWLNSTEALDNVLPSAQLMMDKAVVAGIQQAHAEQLANMRIQDLKVSLKPLHSVNNPILRKRKLLGTKPKDSVYIHDHENGAEDSNVALEKLRDVIAQCILPQAGENEDEKLNEVMQEAWKYNRECKLLRDTLQSFSWNGRGFTDKVDRLKLAEIVKQVIEEQTTSHESQ
  
Inhibitor
Name:
BDBM605901
Synonyms:
US11680056, Example 49A | US11680056, Example 49B
Type:
Small organic molecule
Emp. Form.:
C26H24ClF2N5O3
Mol. Mass.:
527.95
SMILES:
Cc1cnc(c(C)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(-1.05,-29.87,;.29,-30.64,;1.62,-29.87,;2.95,-30.64,;2.95,-32.18,;1.62,-32.95,;1.62,-34.49,;.29,-32.18,;-1.05,-32.95,;-1.05,-34.49,;.29,-35.26,;-2.38,-35.26,;-3.72,-34.49,;-5.05,-35.26,;-6.38,-34.49,;-7.72,-35.26,;-9.05,-34.49,;-10.38,-35.26,;-10.38,-36.8,;-11.72,-37.57,;-9.05,-37.57,;-7.72,-36.8,;-6.38,-37.57,;-3.72,-32.95,;-5.05,-32.18,;-2.38,-32.18,;-2.38,-30.64,;4.29,-32.95,;4.29,-34.49,;5.62,-35.26,;6.95,-34.49,;6.95,-32.95,;5.62,-32.18,;8.29,-32.18,;8.29,-30.64,;9.62,-32.95,;9.62,-31.41,)|
Structure:
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