3VW6

Crystal structure of human apoptosis signal-regulating kinase 1 (ASK1) with imidazopyridine inhibitor

Summary for 3VW6

• Entry DOI: 10.2210/pdb3vw6/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase 5, 4-tert-butyl-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide (3 entities in total)
• Functional Keywords: transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q99683
• Total number of polymer chains: 2
• Total formula weight: 61314.07

Authors

Terao, Y.,Suzuki, H.,Yoshikawa, M.,Yashiro, H.,Takekawa, S.,Fujitani, Y.,Okada, K.,Inoue, Y.,Yamamoto, Y.,Nakagawa, H.,Yao, S.,Kawamoto, T.,Uchikawa, O. (deposition date: 2012-08-06, release date: 2012-10-31, Last modification date: 2024-03-20)

Primary citation

Terao, Y.,Suzuki, H.,Yoshikawa, M.,Yashiro, H.,Takekawa, S.,Fujitani, Y.,Okada, K.,Inoue, Y.,Yamamoto, Y.,Nakagawa, H.,Yao, S.,Kawamoto, T.,Uchikawa, O.
Design and biological evaluation of imidazo[1,2-a]pyridines as novel and potent ASK1 inhibitors.
Bioorg. Med. Chem. Lett., 22:7326-7329, 2012

PubMed Abstract: Imidazo[1,2-a]pyridine derivatives were designed, synthesized, and evaluated as inhibitors of the apoptosis signal-regulating kinase 1 (ASK1). These were based on a benzothiazole derivative that was discovered from high-throughput screening of our compound library. As a result, we identified potent, selective, and orally bioavailable ASK1 inhibitors for wide range of therapeutic targets.

PubMed: 23147077
DOI: 10.1016/j.bmcl.2012.10.084

Experimental method

X-RAY DIFFRACTION (2.4 Å)