2025-09-13_00000173
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ligand
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9QFF
Structure of SOS1 in complex with compound 3;
X-ray diffraction 1.88Å
Protein #1
490 residues (90% resolved)
Raw Sequence ...
GAMAEEQMRLPSADVYRFAEPDSEENIIFEENMQPKAGIPIIKAGTVIKLIERLTYHMYADPNFVRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPLSAELKRFRKEYIQPVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGTVRGKAMKKWVESITKIIQRKKIARDNGPGHNITFQSSPPTVEWHISRPGHIETFDLLTLHPIEIARQLTLLESDLYRAVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQELNNFNGVLEVVSAMNSSPVYRLDHTFEQIPSRQKKILEEAHELSEDHYKKYLAKLRSINPPCVPFFGIYLTNILKTEEGNPEVLKRHGKELINFSKRRKVAEITGEIQQYQNQPYCLRVESDIKRFFENLNPMGNSMEKEFTDYLFNKSLEIEPRNPKPLPRFPKKYSYPLKSPGVRPSNPRPGT
Canonical Sequence ...
GAMAEEQMRLPSADVYRFAEPDSEENIIFEENMQPKAGIPIIKAGTVIKLIERLTYHMYADPNFVRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPLSAELKRFRKEYIQPVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGTVRGKAMKKWVESITKIIQRKKIARDNGPGHNITFQSSPPTVEWHISRPGHIETFDLLTLHPIEIARQLTLLESDLYRAVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQELNNFNGVLEVVSAMNSSPVYRLDHTFEQIPSRQKKILEEAHELSEDHYKKYLAKLRSINPPCVPFFGIYLTNILKTEEGNPEVLKRHGKELINFSKRRKVAEITGEIQQYQNQPYCLRVESDIKRFFENLNPMGNSMEKEFTDYLFNKSLEIEPRNPKPLPRFPKKYSYPLKSPGVRPSNPRPGT
Non polymer #2
A1I6H
InChI=1S/C15H11F3N2O2S/c16-15(17,18)11-5-3-4-10(8-11)9-14-19-12-6-1-2-7-13(12)23(21,22)20-14/h1-8H,9H2,(H,19,20)
InChI=1S/C15H11F3N2O2S/c16-15(17,18)11-5-3-4-10(8-11)9-14-19-12-6-1-2-7-13(12)23(21,22)20-14/h1-8H,9H2,(H,19,20)
SMILES: c1ccc2c(c1)N=C(NS2(=O)=O)Cc3cccc(c3)C(F)(F)F
c1ccc2c(c1)N=C(NS2(=O)=O)Cc3cccc(c3)C(F)(F)F
Biounit #1
monomer
Download coordinates
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Model
Reference
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