Title Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. Journal, issue, pages J. Med. Chem. , Vol. 61, Page 8875-8894, Year 2018Publish date Apr 19, 2018 (structure data deposition date) AuthorsHodges, T.R. / Abbott, J.R. / Little, A.J. / Sarkar, D. / Salovich, J.M. / Howes, J.E. / Akan, D.T. / Sai, J. / Arnold, A.L. / Browning, C. ...Hodges, T.R. / Abbott, J.R. / Little, A.J. / Sarkar, D. / Salovich, J.M. / Howes, J.E. / Akan, D.T. / Sai, J. / Arnold, A.L. / Browning, C. / Burns, M.C. / Sobolik, T. / Sun, Q. / Beesetty, Y. / Coker, J.A. / Scharn, D. / Stadtmueller, H. / Rossanese, O.W. / Phan, J. / Waterson, A.G. / McConnell, D.B. / Fesik, S.W. External links J. Med. Chem. / PubMed:30205005Methods X-ray diffraction Resolution 1.68 - 2.478 Å Structure data PDB-6d55 : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 1.68 Å
PDB-6d56 : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 1.68 Å
PDB-6d59 : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 1.7 Å
PDB-6d5e : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 1.75 Å
PDB-6d5g : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 1.92 Å
PDB-6d5h : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 1.8 Å
PDB-6d5j : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 1.751 Å
PDB-6d5l : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 1.7 Å
PDB-6d5m : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 2.081 Å
PDB-6d5v : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 2.04 Å
PDB-6d5w : Structure viewer Ras:SOS:Ras in complex with a small molecule activatorMethod : X-RAY DIFFRACTION / Resolution : 2.478 Å
Chemicals ChemComp-GNP : Structure viewer PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / GppNHp, GMPPNP, energy-carrying molecule analogue*YM / 5'-Guanylyl imidodiphosphate
ChemComp-FWA : Structure viewer 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
ChemComp-FVM : Structure viewer 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole
ChemComp-FVJ : Structure viewer 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
ChemComp-FVG : Structure viewer 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine
ChemComp-FVD : Structure viewer 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
ChemComp-BME : Structure viewer BETA-MERCAPTOETHANOL / 2-Mercaptoethanol
ChemComp-FV7 : Structure viewer 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
ChemComp-FV4 : Structure viewer 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
ChemComp-FW7 : Structure viewer 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
ChemComp-FW4 : Structure viewer 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole
ChemComp-FVY : Structure viewer 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine
ChemComp-FVV : Structure viewer 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
Source homo sapiens (human) Keywords SIGNALING PROTEIN / Ras / SOS / inhibitor / ONCOPROTEIN / Protein-protein complex / MAPK