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3Q96

B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor

Summary for 3Q96
Entry DOI10.2210/pdb3q96/pdb
DescriptorSerine/threonine-protein kinase B-raf, (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (2 entities in total)
Functional Keywordsdesign, optimization, potent, orally bioavailable, tetrahydronaphthalene, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationNucleus : P15056
Total number of polymer chains2
Total formula weight65377.60
Authors
Sintchak, M.D.,Aertgeerts, K.,Yano, J. (deposition date: 2011-01-07, release date: 2011-03-23, Last modification date: 2024-02-21)
Primary citationGould, A.E.,Adams, R.,Adhikari, S.,Aertgeerts, K.,Afroze, R.,Blackburn, C.,Calderwood, E.F.,Chau, R.,Chouitar, J.,Duffey, M.O.,England, D.B.,Farrer, C.,Forsyth, N.,Garcia, K.,Gaulin, J.,Greenspan, P.D.,Guo, R.,Harrison, S.J.,Huang, S.C.,Iartchouk, N.,Janowick, D.,Kim, M.S.,Kulkarni, B.,Langston, S.P.,Liu, J.X.,Ma, L.T.,Menon, S.,Mizutani, H.,Paske, E.,Renou, C.C.,Rezaei, M.,Rowland, R.S.,Sintchak, M.D.,Smith, M.D.,Stroud, S.G.,Tregay, M.,Tian, Y.,Veiby, O.P.,Vos, T.J.,Vyskocil, S.,Williams, J.,Xu, T.,Yang, J.J.,Yano, J.,Zeng, H.,Zhang, D.M.,Zhang, Q.,Galvin, K.M.
Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54:1836-1846, 2011
Cited by
PubMed: 21341678
DOI: 10.1021/jm101479y
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (3.1 Å)
Structure validation

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