3I81

Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]

Summary for 3I81

• Entry DOI: 10.2210/pdb3i81/pdb
• Descriptor: Insulin-like growth factor 1 receptor, 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide (3 entities in total)
• Functional Keywords: hormone/growth factor, igf-1r, kinase domain, atp-binding, disease mutation, disulfide bond, kinase, membrane, nucleotide-binding, phosphoprotein, polymorphism, receptor, transferase, transmembrane, tyrosine-protein kinase, hormone
• Biological source: Homo sapiens (human)
• Cellular location: Cell membrane ; Single-pass type I membrane protein : P08069
• Total number of polymer chains: 1
• Total formula weight: 36371.72

Authors

Sack, J.S. (deposition date: 2009-07-09, release date: 2009-12-22, Last modification date: 2024-02-21)

• Primary citation: Wittman, M.D.,Carboni, J.M.,Yang, Z.,Lee, F.Y.,Antman, M.,Attar, R.,Balimane, P.,Chang, C.,Chen, C.,Discenza, L.,Frennesson, D.,Gottardis, M.M.,Greer, A.,Hurlburt, W.,Johnson, W.,Langley, D.R.,Li, A.,Li, J.,Liu, P.,Mastalerz, H.,Mathur, A.,Menard, K.,Patel, K.,Sack, J.,Sang, X.,Saulnier, M.,Smith, D.,Stefanski, K.,Trainor, G.,Velaparthi, U.,Zhang, G.,Zimmermann, K.,Vyas, D.M.; Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.; J.Med.Chem., 52:7360-7363, 2009; PubMed: 19778024; DOI: 10.1021/jm900786r

Experimental method

X-RAY DIFFRACTION (2.08 Å)