8YME

BRD4-BD1 in complex with N-cyclohexyl-1-methyl-6-{[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxo-pyrazolo[4,3-c]pyridin-2-yl]methyl}azepan-1-ium-4-carboxamide 2,2,2-trifluoroacetate

This is a non-PDB format compatible entry.

Summary for 8YME

• Entry DOI: 10.2210/pdb8yme/pdb
• Descriptor: Bromodomain-containing protein 4, (4R,6S)-N-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: brd4, epigenetic, signaling protein-inhibitor complex, signaling protein/inhibitor, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 15856.25

Authors

Sasaki, C.,Miyaguchi, I.,Hagihara, S.,Ishizawa, K.,Endo, J. (deposition date: 2024-03-09, release date: 2025-03-12)

• Primary citation: Hagihara, S.,Ishizawa, K.,Soga, K.,Honjo, T.,Takai, S.,Kawano, Y.,Kikuchi, M.,Nishidate, A.,Matsumoto, F.,Murase, M.,Hashimoto, N.,Sasaki, C.,Miyaguchi, I.,Okada, O.,Akashi, T.,Nakayama, S.,Ogasawara, Y.,Endo, J.; Discovery of a potent, orally available pyrazolopyridone derivative as a novel selective BET BD1 Inhibitor (Part 2).; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.18 Å)