6NE5

Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer

Summary for 6NE5

• Entry DOI: 10.2210/pdb6ne5/pdb
• Related: 6BW2
• Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid (3 entities in total)
• Functional Keywords: structure based drug discovery; apoptosis; cancer; mcl-1; drug discovery, apoptosis
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 74988.73

Authors

Zhao, B. (deposition date: 2018-12-17, release date: 2019-04-17, Last modification date: 2023-10-11)

• Primary citation: Lee, T.,Christov, P.P.,Shaw, S.,Tarr, J.C.,Zhao, B.,Veerasamy, N.,Jeon, K.O.,Mills, J.J.,Bian, Z.,Sensintaffar, J.L.,Arnold, A.L.,Fogarty, S.A.,Perry, E.,Ramsey, H.E.,Cook, R.S.,Hollingshead, M.,Davis Millin, M.,Lee, K.M.,Koss, B.,Budhraja, A.,Opferman, J.T.,Kim, K.,Arteaga, C.L.,Moore, W.J.,Olejniczak, E.T.,Savona, M.R.,Fesik, S.W.; Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.; J.Med.Chem., 62:3971-3988, 2019; PubMed: 30929420; DOI: 10.1021/acs.jmedchem.8b01991

Experimental method

X-RAY DIFFRACTION (1.85 Å)