3EKK

Insulin receptor kinase complexed with an inhibitor

Summary for 3EKK

• Entry DOI: 10.2210/pdb3ekk/pdb
• Related: 3EKN 3ELJ
• Descriptor: Insulin receptor, 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide (3 entities in total)
• Functional Keywords: insulin, tyrosine kinase, atp-binding, carbohydrate metabolism, cleavage on pair of basic residues, diabetes mellitus, disease mutation, glycoprotein, kinase, membrane, nucleotide-binding, phosphoprotein, receptor, transferase, transmembrane, tyrosine-protein kinase
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P06213
• Total number of polymer chains: 1
• Total formula weight: 35380.35

Authors

Chamberlain, S.,Atkins, C.,Deanda, F.,Dumble, M.,Gerding, R.,Groy, A.,Korenchuk, S.,Kumar, R.,Lei, H.,Mook, R.,Moorthy, G.,Redman, A.,Rowland, J.,Sabbatini, P.,Shewchuk, L. (deposition date: 2008-09-19, release date: 2008-12-23, Last modification date: 2023-08-30)

Primary citation

Chamberlain, S.D.,Wilson, J.W.,Deanda, F.,Patnaik, S.,Redman, A.M.,Yang, B.,Shewchuk, L.,Sabbatini, P.,Leesnitzer, M.A.,Groy, A.,Atkins, C.,Gerding, R.,Hassell, A.M.,Lei, H.,Mook, R.A.,Moorthy, G.,Rowand, J.L.,Stevens, K.L.,Kumar, R.,Shotwell, J.B.
Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 19:469-473, 2009

PubMed Abstract: The evaluation of a series of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines as inhibitors of the IGF-1R (IGF-IR) receptor tyrosine kinase is reported. Examples demonstrate nanomolar potencies in in vitro enzyme and mechanistic cellular assays as well as promising in vivo pharmacokinetics in rat.

PubMed: 19056263
DOI: 10.1016/j.bmcl.2008.11.046

Experimental method

X-RAY DIFFRACTION (2.1 Å)