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6N0P

BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)

Summary for 6N0P
Entry DOI10.2210/pdb6n0p/pdb
DescriptorSerine/threonine-protein kinase B-raf, N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide (3 entities in total)
Functional Keywordsraf, braf, craf, craf kinase, serine threonine protein, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total formula weight63283.23
Authors
Mamo, M.,Appleton, B.A. (deposition date: 2018-11-07, release date: 2019-09-04, Last modification date: 2024-03-13)
Primary citationRamurthy, S.,Taft, B.R.,Aversa, R.J.,Barsanti, P.A.,Burger, M.T.,Lou, Y.,Nishiguchi, G.A.,Rico, A.,Setti, L.,Smith, A.,Subramanian, S.,Tamez, V.,Tanner, H.,Wan, L.,Hu, C.,Appleton, B.A.,Mamo, M.,Tandeske, L.,Tellew, J.E.,Huang, S.,Yue, Q.,Chaudhary, A.,Tian, H.,Iyer, R.,Hassan, A.Q.,Mathews Griner, L.A.,La Bonte, L.R.,Cooke, V.G.,Van Abbema, A.,Merritt, H.,Gampa, K.,Feng, F.,Yuan, J.,Mishina, Y.,Wang, Y.,Haling, J.R.,Vaziri, S.,Hekmat-Nejad, M.,Polyakov, V.,Zang, R.,Sethuraman, V.,Amiri, P.,Singh, M.,Sellers, W.R.,Lees, E.,Shao, W.,Dillon, M.P.,Stuart, D.D.
Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63:2013-2027, 2020
Cited by
PubMed: 31059256
DOI: 10.1021/acs.jmedchem.9b00161
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.37 Å)
Structure validation

217705

数据于2024-03-27公开中

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