6ZBA
Crystal structure of PDE4D2 in complex with inhibitor LEO39652
This is a non-PDB format compatible entry.
Summary for 6ZBA
Entry DOI | 10.2210/pdb6zba/pdb |
Descriptor | cAMP-specific 3',5'-cyclic phosphodiesterase 4D, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, 1,2-ETHANEDIOL, ... (7 entities in total) |
Functional Keywords | phosphodiesterase, phosphodiesterase inhibitor, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 4 |
Total formula weight | 169570.11 |
Authors | Akutsu, M.,Hakansson, M.,Welin, M.,Svensson, A.,Logan, D.T.,Sorensen, M.D. (deposition date: 2020-06-08, release date: 2020-09-23, Last modification date: 2024-01-24) |
Primary citation | Larsen, J.,Lambert, M.,Pettersson, H.,Vifian, T.,Larsen, M.,Ollerstam, A.,Hegardt, P.,Eskilsson, C.,Laursen, S.,Soehoel, A.,Skak-Nielsen, T.,Hansen, L.M.,Knudsen, N.O.,Eirefelt, S.,Sorensen, M.D.,Stilou, T.G.,Nielsen, S.F. Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis. J.Med.Chem., 63:14502-14521, 2020 Cited by PubMed: 33054196DOI: 10.1021/acs.jmedchem.0c00797 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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