6BW2
Mcl-1 complexed with small molecules
Summary for 6BW2
Entry DOI | 10.2210/pdb6bw2/pdb |
Descriptor | Induced myeloid leukemia cell differentiation protein Mcl-1, 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid (3 entities in total) |
Functional Keywords | mcl-1 inhibitor, cancer, structure-based design, drug discovery, apoptosis |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 4 |
Total formula weight | 74474.31 |
Authors | Zhao, B. (deposition date: 2017-12-14, release date: 2018-01-31, Last modification date: 2023-10-04) |
Primary citation | Shaw, S.,Bian, Z.,Zhao, B.,Tarr, J.C.,Veerasamy, N.,Jeon, K.O.,Belmar, J.,Arnold, A.L.,Fogarty, S.A.,Perry, E.,Sensintaffar, J.L.,Camper, D.V.,Rossanese, O.W.,Lee, T.,Olejniczak, E.T.,Fesik, S.W. Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J. Med. Chem., 61:2410-2421, 2018 Cited by PubMed: 29323899DOI: 10.1021/acs.jmedchem.7b01155 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.75 Å) |
Structure validation
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