3ETA

Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor

Summary for 3ETA

• Entry DOI: 10.2210/pdb3eta/pdb
• Descriptor: insulin receptor, kinase domain, 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea (3 entities in total)
• Functional Keywords: 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, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 73363.77

Authors

Patnaik, S.,Stevens, K.,Gerding, R.,Deanda, F.,Shotwell, B.,Tang, J.,Hamajima, T.,Nakamura, H.,Leesnitzer, A.,Hassell, A.,Shewchuk, L.,Kumar, R.,Lei, H.,Chamberlain, S. (deposition date: 2008-10-07, release date: 2009-05-26, Last modification date: 2023-09-06)

Primary citation

Patnaik, S.,Stevens, K.L.,Gerding, R.,Deanda, F.,Shotwell, J.B.,Tang, J.,Hamajima, T.,Nakamura, H.,Leesnitzer, M.A.,Hassell, A.M.,Shewchuck, L.M.,Kumar, R.,Lei, H.,Chamberlain, S.D.
Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19:3136-3140, 2009

PubMed Abstract: Exploration of the SAR around a series of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines led to the discovery of novel pyrrolopyridine inhibitors of the IGF-1R tyrosine kinase. Several compounds demonstrated nanomolar potency in enzyme and cellular mechanistic assays.

PubMed: 19394223
DOI: 10.1016/j.bmcl.2008.12.110

Experimental method

X-RAY DIFFRACTION (2.6 Å)