KinasePro

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

PDB Update

Posted by kinasepro on July 24, 2007

2PZI: AX-20017 in PknG, Biozentrum (University of Basel) & PSI; PNAS

O=C(C1=C(NC(C2CC2)=O)SC3=C1CCCC3)N

IC50 of ~0,5μM

AX-20017 was a hit, and optimized in: WO/2005/023818 by Axxima now owned by GPC. Some off-target activity on Aurora is described in the series, and here’s some related Flt3 inhibitors: BMCL

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4 Responses to “PDB Update”

  1. So in this too it seems the thiophene sulfur is cis to the amide oxygen 🙂

  2. kinasepro said

    An under-described phenomena to be sure, but Team Takeda has more on the C=O / S attraction in: Chem. Pharm. Bull. 2007, 55(4), 613-624

  3. I can’t seem to access the article. What exactly are they saying? My statement was based on the problems the authors encountered in the recent p38 J. Med. Chem. paper which I described on my blog.

  4. kinasepro said

    Drats, I gave the wrong ref anyhow… I’ll put something up tonight or tomorrow, but the basic idea is that these kinds of things are aided by an intramolecular S–O through space interaction.

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