KinasePro

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

Partially Immitation Uno

Posted by kinasepro on February 8, 2007

Maybe this why they call it pim1?

See here, its a kinase without a key hydrogen bond donor. Highlit yellow is the interesting PRO123. ATP and inhibitors generally bind to the peptide NH that is otherwise normally there.

O=C1C(C#N)=C(C2=CC=CC=C2)C=C(C3=C(O)C=CC(Br)=C3)N1

Big deal eh? Well, next time a modeler tells you you have to have a hydrogen bond to the hinge, tell him to put 2OBJ in his pipe and smoke it! 1YI3 is the other ligand/pim complex. While I don’t know the activity of these pyridone compounds or of the ligand in 1YI3, BindingDB has 5 compounds 4 of which are 150nM and less. SS and the BIM’s appear to be very active.  I guess when your competition is ATP, and ATP can’t find that H-Bond either…

Previous PIM1 PDB’s: 1XQZ, 1XR1, 1XWS, 1YHS, 1YI3, 1YI4, 2BIK, 2BIL, 2BZH, 2BZI, 2BZJ, 2BZK, 2C3I, 2OBJ

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One Response to “Partially Immitation Uno”

  1. milkshake said

    I would like to try these compounds on blood colaguation – At Celera they had VIIa/Xa inhibitors that looked remarkably like these pyridones.

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