| Reaction Details |
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 | Report a problem with these data |
| Target | Son of sevenless homolog 1 [564-1049]/GTPase KRas [G12C] |
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| Ligand | BDBM631728 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | SOS1 KRas(G12C) FRET Assay |
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| IC50 | 9.70±n/a nM |
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| Citation |  Levinson, AM; Houang, E; Leffler, AE; Placzek, A; Ruvinsky, A; Greenwood, JR; Konst, Z; Frye, L HETEROCYCLIC COMPOUNDS AND METHODS OF USE US Patent US20230348424 Publication Date 11/2/2023 |
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| More Info.: | Get all data from this article, Assay Method |
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| Son of sevenless homolog 1 [564-1049]/GTPase KRas [G12C] |
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| Name: | Son of sevenless homolog 1 [564-1049]/GTPase KRas [G12C] |
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| Synonyms: | SOS1 KRas(G12C) |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Son of sevenless homolog 1 [564-1049] |
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| Synonyms: | SOS1 | SOS1_HUMAN | Son of sevenless homolog 1 (SOS1)(564-1049) |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 56970.22 |
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| Organism: | n/a |
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| Description: | aa 564-1049 |
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| Residue: | 486 |
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| Sequence: | EEQMRLPSADVYRFAEPDSEENIIFEENMQPKAGIPIIKAGTVIKLIERLTYHMYADPNF
VRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPLSAELKRFRKEYIQ
PVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGTVRGKAMKKWVESITKIIQRKKIA
RDNGPGHNITFQSSPPTVEWHISRPGHIETFDLLTLHPIEIARQLTLLESDLYRAVQPSE
LVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQ
ELNNFNGVLEVVSAMNSSPVYRLDHTFEQIPSRQKKILEEAHELSEDHYKKYLAKLRSIN
PPCVPFFGIYLTNILKTEEGNPEVLKRHGKELINFSKRRKVAEITGEIQQYQNQPYCLRV
ESDIKRFFENLNPMGNSMEKEFTDYLFNKSLEIEPRNPKPLPRFPKKYSYPLKSPGVRPS
NPRPGT
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| Component 2 |
| Name: | GTPase KRas [G12C] |
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| Synonyms: | GTPase KRas (G12C) | KRAS | KRAS2 | RASK2 | RASK_HUMAN |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 21702.19 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P01116[G12C] |
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| Residue: | 189 |
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| Sequence: | MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGC
VKIKKCIIM
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| BDBM631728 |
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| n/a |
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| Name | BDBM631728 |
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| Synonyms: | N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)-1-(1- (difluoromethyl)cyclopropyl)-4-(((S)-4-methyl-4-azaspiro[2.5]octan-7-yl)amino)-6-oxo-1,6- dihydropyridine-3-carboxamide (Example 311) | US20230348424, Example 311 | US20230348424, Example 312 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H31F5N4O2 |
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| Mol. Mass. | 538.5527 |
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| SMILES | C[C@@H](NC(=O)c1cn(c(=O)cc1N[C@@H]1CCN(C)C2(CC2)C1)C1(CC1)C(F)F)c1cccc(C(F)F)c1F |
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| Structure | 
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