KinasePro

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

PDB Update

Posted by kinasepro on March 27, 2007

2GHG Abbott – Chk1 with A431994 (Akt inhibitor) BMCL ’06, 3424

O=C1NC2=C(C=C(C3=CC(OC[C@@H](N)CC4=CNC5=C4C=CC=C5)=CN=C3)C=C2)/C1=C/C6=CC=CN6

I haven’t read the article yet, but to my eye the PDB suggests a ligand conformation responsible for some off target activity. Abbott’s indole-aminoethoxides in last weeks update (2OH0, 2OJF) seem to be the more typical (potent?) conformation.

Advertisements

2 Responses to “PDB Update”

  1. milkshake said

    just looking at the structure, this thing looks about as soluble as a piece of yellow-painted concrete (chipped from a speedbump)

  2. kinasepro said

    I got around to reading the bmcl… it underwhelmingly suggests they got the chk structure merely as a surrogate – that they couldn’t get a pkb, or pka mutant to crystallize. No mention of chk activity in the paper.

    l4m3Rz

Leave a Reply

Fill in your details below or click an icon to log in:

WordPress.com Logo

You are commenting using your WordPress.com account. Log Out / Change )

Twitter picture

You are commenting using your Twitter account. Log Out / Change )

Facebook photo

You are commenting using your Facebook account. Log Out / Change )

Google+ photo

You are commenting using your Google+ account. Log Out / Change )

Connecting to %s

 
%d bloggers like this: