3O56: Catalytic Domain Of Human Phosphodiesterase 4b2b In Complex With A 5- Heterocycle Pyrazolopyridine Inhibitor

Citation:
Abstract
Following the discovery of 4-(substituted amino)-1-alkyl-pyrazolo[3,4-b]pyridine-5-carboxamides as potent and selective phosphodiesterase 4B inhibitors, [Hamblin, J. N.; Angell, T.; Ballentine, S., et al. Bioorg. Med. Chem. Lett.2008, 18, 4237] the SAR of the 5-position was investigated further. A range of substituted heterocycles showed good potencies against PDE4. Optimisation using X-ray crystallography and computational modelling led to the discovery of 16, with sub-nM inhibition of LPS-induced TNF-alpha production from isolated human peripheral blood mononuclear cells.
PDB ID: 3O56Download
MMDB ID: 92321
PDB Deposition Date: 2010/7/28
Updated in MMDB: 2011/08
Experimental Method:
x-ray diffraction
Resolution: 2.42  Å
Source Organism:
Similar Structures:
Biological Unit for 3O56: monomeric; determined by author
Molecular Components in 3O56
Label Count Molecule
Protein (1 molecule)
1
Camp-specific 3',5'-cyclic Phosphodiesterase 4B(Gene symbol: PDE4B)
Molecule annotation
Chemicals (8 molecules)
1
1
2
1
3
3
4
1
5
2
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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