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==ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine== | ==ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine== | ||
<StructureSection load='2wot' size='340' side='right' caption='[[2wot]], [[Resolution|resolution]] 1.85Å' scene=''> | <StructureSection load='2wot' size='340' side='right' caption='[[2wot]], [[Resolution|resolution]] 1.85Å' scene=''> | ||
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1py5|1py5]], [[1ias|1ias]], [[1b6c|1b6c]], [[1vjy|1vjy]], [[1rw8|1rw8]], [[2wou|2wou]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1py5|1py5]], [[1ias|1ias]], [[1b6c|1b6c]], [[1vjy|1vjy]], [[1rw8|1rw8]], [[2wou|2wou]]</td></tr> | ||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.30 2.7.11.30] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein_serine/threonine_kinase Receptor protein serine/threonine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.30 2.7.11.30] </span></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wot FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wot OCA], [http://pdbe.org/2wot PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wot RCSB], [http://www.ebi.ac.uk/pdbsum/2wot PDBsum]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wot FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wot OCA], [http://pdbe.org/2wot PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wot RCSB], [http://www.ebi.ac.uk/pdbsum/2wot PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wot ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
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Check<jmol> | Check<jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wo/2wot_consurf.spt"</scriptWhenChecked> | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wo/2wot_consurf.spt"</scriptWhenChecked> | ||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
Revision as of 09:29, 4 April 2018
ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amineALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
Structural highlights
Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedA novel class of 4-pyridinoxy-2-anilinopyridine-based TGF-beta type I receptor (also known as activin-like kinase 5 or ALK5) inhibitors is reported. The binding mode of this scaffold was successfully predicted by analyzing possible docked binding modes of literature inhibitors and novel synthetic ideas. Compounds such as 19 are potent ALK5 inhibitors with good physicochemical and pharmacokinetic properties and thus represent high quality leads for further optimization. Rapid Generation of a High Quality Lead for Transforming Growth Factor-beta (TGF-beta) Type I Receptor (ALK5) (dagger).,Goldberg FW, Ward RA, Powell SJ, Debreczeni JE, Norman RA, Roberts NJ, Dishington AP, Gingell HJ, Wickson KF, Roberts AL J Med Chem. 2009 Sep 8. PMID:19736928[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCACategories:
- Human
- Receptor protein serine/threonine kinase
- Debreczeni, J E
- Dishington, A P
- Finlay, R
- Gingell, H J
- Goldberg, F W
- Norman, R A
- Powell, S J
- Roberts, A L
- Roberts, N J
- Ward, R A
- Wickson, K F
- Alk5
- Aortic aneurysm
- Atp-binding
- Craniosynostosis
- Disease mutation
- Disulfide bond
- Glycoprotein
- Kinase
- Kinase inhibitor
- Manganese
- Membrane
- Metal-binding
- Nucleotide-binding
- Phosphoprotein
- Receptor
- Serine/threonine-protein kinase
- Tgf beta type i receptor
- Transferase
- Transmembrane