9BCG

Myeloid cell leukemia-1 (Mcl-1) complexed with compound

This is a non-PDB format compatible entry.

Summary for 9BCG

• Entry DOI: 10.2210/pdb9bcg/pdb
• Related PRD ID: PRD_900001
• Descriptor: Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 7-[(4R,5S,6P)-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]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, ... (4 entities in total)
• Functional Keywords: mcl-1, drug discovery, apoptosis
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 1
• Total formula weight: 58283.74

Authors

Zhao, B.,Fesik, S.W. (deposition date: 2024-04-09, release date: 2024-08-07, Last modification date: 2024-09-11)

• Primary citation: Tarr, J.C.,Salovich, J.M.,Aichinger, M.,Jeon, K.,Veerasamy, N.,Sensintaffar, J.L.,Arnhof, H.,Samwer, M.,Christov, P.P.,Kim, K.,Wunberg, T.,Schweifer, N.,Trapani, F.,Arnold, A.,Martin, F.,Zhao, B.,Miriyala, N.,Sgubin, D.,Fogarty, S.,Moore, W.J.,Stott, G.M.,Olejniczak, E.T.,Engelhardt, H.,Rudolph, D.,Lee, T.,McConnell, D.B.,Fesik, S.W.; Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor That Demonstrates Potent In Vivo Activities in Mouse Models of Hematological and Solid Tumors.; J.Med.Chem., 67:14370-14393, 2024; PubMed: 39102508; DOI: 10.1021/acs.jmedchem.4c01188

Experimental method

X-RAY DIFFRACTION (1.898 Å)