2hy0

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
[[Image:2hy0.jpg|left|200px]]
[[Image:2hy0.jpg|left|200px]]
-
{{Structure
+
<!--
-
|PDB= 2hy0 |SIZE=350|CAPTION= <scene name='initialview01'>2hy0</scene>, resolution 1.7&Aring;
+
The line below this paragraph, containing "STRUCTURE_2hy0", creates the "Structure Box" on the page.
-
|SITE=
+
You may change the PDB parameter (which sets the PDB file loaded into the applet)
-
|LIGAND= <scene name='pdbligand=306:3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE'>306</scene>
+
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span>
+
or leave the SCENE parameter empty for the default display.
-
|GENE= CHEK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+
-->
-
|DOMAIN=
+
{{STRUCTURE_2hy0| PDB=2hy0 | SCENE= }}
-
|RELATEDENTRY=[[2hxl|2HXL]], [[2hxq|2HXQ]]
+
-
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2hy0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hy0 OCA], [http://www.ebi.ac.uk/pdbsum/2hy0 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2hy0 RCSB]</span>
+
-
}}
+
'''crystal structure of chek1 in complex with inhibitor 22'''
'''crystal structure of chek1 in complex with inhibitor 22'''
Line 27: Line 24:
[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Yan, Y.]]
[[Category: Yan, Y.]]
-
[[Category: cell cycle checkpoint]]
+
[[Category: Cell cycle checkpoint]]
-
[[Category: chek1]]
+
[[Category: Chek1]]
-
[[Category: kinase]]
+
[[Category: Kinase]]
-
 
+
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:51:09 2008''
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:37:07 2008''
+

Revision as of 03:51, 4 May 2008

Image:2hy0.jpg

Template:STRUCTURE 2hy0

crystal structure of chek1 in complex with inhibitor 22


Overview

Through a comparison of X-ray co-crystallographic data for 1 and 2 in the Chek1 active site, it was hypothesized that the affinity of the indolylquinolinone series (2) for Chek1 kinase would be improved via C6 substitution into the hydrophobic region I (HI) pocket. An efficient route to 6-bromo-3-indolyl-quinolinone (9) was developed, and this series was rapidly optimized for potency by modification at C6. A general trend was observed among these low nanomolar Chek1 inhibitors that compounds with multiple basic amines, or elevated polar surface area (PSA) exhibited poor cell potency. Minimization of these parameters (basic amines, PSA) resulted in Chek1 inhibitors with improved cell potency, and preliminary pharmacokinetic data are presented for several of these compounds.

About this Structure

2HY0 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors., Huang S, Garbaccio RM, Fraley ME, Steen J, Kreatsoulas C, Hartman G, Stirdivant S, Drakas B, Rickert K, Walsh E, Hamilton K, Buser CA, Hardwick J, Mao X, Abrams M, Beck S, Tao W, Lobell R, Sepp-Lorenzino L, Yan Y, Ikuta M, Murphy JZ, Sardana V, Munshi S, Kuo L, Reilly M, Mahan E, Bioorg Med Chem Lett. 2006 Nov 15;16(22):5907-12. Epub 2006 Sep 20. PMID:16990002 Page seeded by OCA on Sun May 4 06:51:09 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2hy0"
Personal tools