6BW8

Mcl-1 complexed with small molecules

Summary for 6BW8

Entry DOI	10.2210/pdb6bw8/pdb
Descriptor	Induced myeloid leukemia cell differentiation protein Mcl-1, 7-{8-chloro-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}-1-methyl-1H-indole-3-carboxylic acid (2 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	74768.24
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: 29323899 DOI: 10.1021/acs.jmedchem.7b01155 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation