KinasePro

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

JnJ’s got Aurora-A

Posted by kinasepro on May 1, 2007

Neet ideas in wo/2007/047646… I don’t understand the Kyowa Hakko / Janssen / JnJ triangle, but I hope there’s a deal under here somewhere. Else wo/2006/112479 is going to make for some fancy lawyering if you guys are going to keep these…

O=C1C(C(C2=CC(C=C(OCCN3CCN(CC)CC3)C=C4)=C4N2)=CC=C5)=C5CN1

>> here, have a model based on the Aurora-b PDB 2BFY: >>

 

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4 Responses to “JnJ’s got Aurora-A”

  1. David said

    Nice structure, what’s binding mode?

  2. kinasepro said

    I updated my guess in above, and I can’t imagine anything else is going on with these… Aurora’s Leucine gatekeeper likely snuggles with the lactam CH2.

  3. David said

    Pro,
    What model you used for docking? DFG out? It might bind in a different orientation.

  4. kinasepro said

    not docked, just overlayed… DFG out – hmm.. dropping the phenyl in h1 is what I think your talking about. Could be, but that wouldn’t be my guess. If your interested in the chemotype i recommend looking at the Kyowa app. They have more diversity and look at things like sulphones and such, pretty much right where I might have tried were I working off of something like 2BFY as a pharmacophore template.

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