5C7C

Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18

Summary for 5C7C

• Entry DOI: 10.2210/pdb5c7c/pdb
• Descriptor: E3 ubiquitin-protein ligase XIAP, ZINC ION, (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, ... (4 entities in total)
• Functional Keywords: ligase, apoptosis
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P98170
• Total number of polymer chains: 1
• Total formula weight: 13074.47

Authors

Chessari, G.,Buck, I.M.,Day, J.E.H.,Day, P.J.,Iqbal, A.,Johnson, C.N.,Lewis, E.J.,Martins, V.,Miller, D.,Reader, M.,Rees, D.C.,Rich, S.J.,Tamanini, E.,Vitorino, M.,Ward, G.A.,Williams, P.A.,Williams, G.,Wilsher, N.E.,Woolford, A.J.-A. (deposition date: 2015-06-24, release date: 2015-08-12, Last modification date: 2015-09-09)

• Primary citation: Chessari, G.,Buck, I.M.,Day, J.E.,Day, P.J.,Iqbal, A.,Johnson, C.N.,Lewis, E.J.,Martins, V.,Miller, D.,Reader, M.,Rees, D.C.,Rich, S.J.,Tamanini, E.,Vitorino, M.,Ward, G.A.,Williams, P.A.,Williams, G.,Wilsher, N.E.,Woolford, A.J.; Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.; J.Med.Chem., 58:6574-6588, 2015; PubMed: 26218264; DOI: 10.1021/acs.jmedchem.5b00706

Experimental method

X-RAY DIFFRACTION (2.32 Å)