5IMX

Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine

Summary for 5IMX

• Entry DOI: 10.2210/pdb5imx/pdb
• Descriptor: ALK tyrosine kinase receptor, 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine (3 entities in total)
• Functional Keywords: kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cell membrane ; Single-pass type I membrane protein : Q9UM73
• Total number of polymer chains: 1
• Total formula weight: 37485.51

Authors

Wang, C.,Zhang, P.,Dong, J. (deposition date: 2016-03-07, release date: 2016-05-04, Last modification date: 2024-03-20)

• Primary citation: Zhang, P.,Dong, J.,Zhong, B.,Zhang, D.,Yuan, H.,Jin, C.,Xu, X.,Li, H.,Zhou, Y.,Liang, Z.,Ji, M.,Xu, T.,Song, G.,Zhang, L.,Chen, G.,Meng, X.,Sun, D.,Shih, J.,Zhang, R.,Hou, G.,Wang, C.,Jin, Y.,Yang, Q.; Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.; Bioorg.Med.Chem.Lett., 26:1910-1918, 2016; PubMed: 26979157; DOI: 10.1016/j.bmcl.2016.03.017

Experimental method

X-RAY DIFFRACTION (2.12 Å)