5IF4

Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design

Summary for 5IF4

• Entry DOI: 10.2210/pdb5if4/pdb
• Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, 4-{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-6-carboxylic acid (3 entities in total)
• Functional Keywords: myeloid cell leukemia-1, bcl-2, apoptosis, apoptosis-apoptosis inhibitor complex, apoptosis/apoptosis inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 37498.22

Authors

Zhao, B. (deposition date: 2016-02-25, release date: 2017-01-18, Last modification date: 2024-03-06)

• Primary citation: Lee, T.,Bian, Z.,Zhao, B.,Hogdal, L.J.,Sensintaffar, J.L.,Goodwin, C.M.,Belmar, J.,Shaw, S.,Tarr, J.C.,Veerasamy, N.,Matulis, S.M.,Koss, B.,Fischer, M.A.,Arnold, A.L.,Camper, D.V.,Browning, C.F.,Rossanese, O.W.,Budhraja, A.,Opferman, J.,Boise, L.H.,Savona, M.R.,Letai, A.,Olejniczak, E.T.,Fesik, S.W.; Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.; FEBS Lett., 591:240-251, 2017; PubMed: 27878989; DOI: 10.1002/1873-3468.12497

Experimental method

X-RAY DIFFRACTION (2.392 Å)