4GU6

FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-{3-[(5-Cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)- methyl]-pyridin-2-yl}-N-methyl-methanesulfonamide

Summary for 4GU6

• Entry DOI: 10.2210/pdb4gu6/pdb
• Related: 3PXK
• Descriptor: Focal adhesion kinase 1, N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide (3 entities in total)
• Functional Keywords: protein tyrosine kinase, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cell junction, focal adhesion: Q05397
• Total number of polymer chains: 2
• Total formula weight: 65473.44

Authors

Musil, D.,Heinrich, T. (deposition date: 2012-08-29, release date: 2013-09-04, Last modification date: 2023-09-13)

• Primary citation: Heinrich, T.,Seenisamy, J.,Emmanuvel, L.,Kulkarni, S.S.,Bomke, J.,Rohdich, F.,Greiner, H.,Esdar, C.,Krier, M.,Gradler, U.,Musil, D.; Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors.; J.Med.Chem., 56:1160-1170, 2013; PubMed: 23294348; DOI: 10.1021/jm3016014

Experimental method

X-RAY DIFFRACTION (1.95 Å)