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2wou
From Proteopedia
| 2wou, resolution 2.30Å () | |||||||||
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| Ligands: | , | ||||||||
| Activity: | Receptor protein serine/threonine kinase, with EC number 2.7.11.30 | ||||||||
| Related: | 1py5, 1ias, 1b6c, 1vjy, 1rw8, 2wot | ||||||||
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| Resources: | FirstGlance, OCA, RCSB, PDBsum | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
ALK5 IN COMPLEX WITH 4-((4-((2,6-DIMETHYL-3-PYRIDYL)OXY)-2-PYRIDYL)AMINO)BENZENESULFONAMIDE
A 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
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
2wou is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
- Goldberg FW, Ward RA, Powell SJ, Debreczeni JE, Norman RA, Roberts NJ, Dishington AP, Gingell HJ, Wickson KF, Roberts AL. Rapid Generation of a High Quality Lead for Transforming Growth Factor-beta (TGF-beta) Type I Receptor (ALK5) (dagger). J Med Chem. 2009 Sep 8. PMID:19736928 doi:10.1021/jm900807w
Categories: Homo sapiens | 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. | Alk | Atp-binding | Kinase inhibitor | Nucleotide-binding | Serine/threonine-protein kinase | Tgf beta type i receptor | Transferase
