Kinase Chemistry – Just a year and a half behind the times.


Posted by kinasepro on October 31, 2006

Hi Again SKB, Nice AKT inhibitors.

This benzimidazole core keeps popping up in the patent literature… Maybe there’s something to it. I see you guys vary the heck out of the alkoxy-amino region. Some nice intermediates worth perusing there.

As for the binding motif, well, AKT appears to be difficult to crystallize, or else why would folks be looking at PKA mutants as PKB models? (1XH4, 1XH5, 1XH6, 1XH7, 1XH8, 1XH9, and 1XHA) KP is not aware of any PDBs with the core, and the two APO’s of akt are teh suq, but my feeling is that 2F7Z has some clues.

Yah, Yah I know the overlay is ‘backwards’ compared to the 2D models… Use your rimagination. This seems reasonable though and puts the oxadiazole at the hinge, the alkyne pointed towards H1, and the primary amine in the phosphate binding region. NC1=NON=C1C2=NC3=C(C#CC(C)(O)C)N=C(O[C@H]([C@H](COC)N)C4=CC=CC=C4)C=C3N2CC

One Response to “WO2006113837”

  1. Richard said

    With that overlay anything works.

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