3H0E

3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3

Summary for 3H0E

• Entry DOI: 10.2210/pdb3h0e/pdb
• Related: 1CP3
• Descriptor: Caspase-3, (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol (3 entities in total)
• Functional Keywords: caspase-3, protein-inhibitor complex, apoptosis, cytoplasm, hydrolase, phosphoprotein, polymorphism, protease, s-nitrosylation, thiol protease, zymogen
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P42574
• Total number of polymer chains: 2
• Total formula weight: 59633.93

Authors

Xu, W. (deposition date: 2009-04-09, release date: 2009-11-17, Last modification date: 2011-07-13)

• Primary citation: Havran, L.M.,Chong, D.C.,Childers, W.E.,Dollings, P.J.,Dietrich, A.,Harrison, B.L.,Marathias, V.,Tawa, G.,Aulabaugh, A.,Cowling, R.,Kapoor, B.,Xu, W.,Mosyak, L.,Moy, F.,Hum, W.T.,Wood, A.,Robichaud, A.J.; 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3; Bioorg.Med.Chem., 17:7755-7768, 2009; PubMed: 19836248; DOI: 10.1016/j.bmc.2009.09.036

Experimental method

X-RAY DIFFRACTION (1.997 Å)