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 Cited by PubMed: 30929420DOI: 10.1021/acs.jmedchem.8b01991 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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