Reaction Details | |||
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Target | GTPase KRas | ||
Ligand | BDBM50590537 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2197024 (CHEMBL5109540) | ||
IC50 | 77±n/a nM | ||
Citation | Imaizumi, T; Akaiwa, M; Abe, T; Nigawara, T; Koike, T; Satake, Y; Watanabe, K; Kaneko, O; Amano, Y; Mori, K; Yamanaka, Y; Nagashima, T; Shimazaki, M; Kuramoto, K Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg Med Chem71:0 (2022) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
GTPase KRas | |||
Name: | GTPase KRas | ||
Synonyms: | GTPase KRas, N-terminally processed | K-Ras 2 | KRAS | KRAS2 | Ki-Ras | RASK2 | RASK_HUMAN | c-K-ras | c-Ki-ras | ||
Type: | PROTEIN | ||
Mol. Mass.: | 21656.10 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1476955 | ||
Residue: | 189 | ||
Sequence: |
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BDBM50590537 | |||
n/a | |||
Name | BDBM50590537 | ||
Synonyms: | CHEMBL5205152 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H37ClFN7O2 | ||
Mol. Mass. | 618.144 | ||
SMILES | CCN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.08,;8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | ||
Structure |