Reaction Details | |||
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Target | GTPase KRas [G12D] | ||
Ligand | BDBM629325 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | KRAS G12D LoEnz Biochemical Assay | ||
IC50 | 0.120±n/a nM | ||
Citation | Landry, ML; Nilewski, C; Siu, M; Villemure, E; Wang, Y; Wei, B; Ashley, MA; Do, S; Gazzard, LJ; Green, SA AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF US Patent US20240025919 Publication Date 1/25/2024 | ||
More Info.: | Get all data from this article, Assay Method | ||
GTPase KRas [G12D] | |||
Name: | GTPase KRas [G12D] | ||
Synonyms: | GTPase KRas (G12D) | KRAS | KRAS2 | RASK2 | RASK_HUMAN | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 21713.12 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P01116[G12D] | ||
Residue: | 189 | ||
Sequence: |
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BDBM629325 | |||
n/a | |||
Name | BDBM629325 | ||
Synonyms: | Compound 5 (5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-4-oxa-3,10a,11,13,14-pentaaza-6,9-methanonaphtho[1,8-ab]heptalen-2-yl)naphthalen-2-ol) | Compound 5 (5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-4-oxa-3,10a,11,13,14-pentaaza-6,9-methanonaphtho[1,8-ab]heptalen-2-yl)naphthalen-2-ol) and Compound 6 (6-chloro-5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-4-oxa-3,10a,11,13,14-pentaaza-6,9-methanonaphtho[1,8-ab]heptalen-2-yl)naphthalen-2-ol) | US20230339981, Example 5 | US20240025919, Compound 1 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H31F3N6O3 | ||
Mol. Mass. | 604.6221 | ||
SMILES | Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(F)cccc2c1 |r| | ||
Structure |