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Target
GTPase KRas
Ligand
BDBM50590532
Substrate
n/a
Meas. Tech.
ChEMBL_2197024 (CHEMBL5109540)
IC50
160±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 Chem 71:0 (2022) [PubMed] 
Target
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:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM50590532
Synonyms:
CHEMBL5208546
Type:
Small organic molecule
Emp. Form.:
C31H34ClFN8O
Mol. Mass.:
589.106
SMILES:
CN1CCC(CC1)Nc1nc(N2CCC3(CN(C3)C(=O)C=C)C2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.53,;7.23,-2.3,;5.9,-1.53,;4.56,-2.3,;4.56,-3.84,;5.9,-4.61,;7.23,-3.84,;3.23,-4.61,;1.9,-3.84,;1.89,-2.32,;.56,-1.55,;.56,-.01,;-.68,.89,;-.21,2.36,;1.33,2.36,;.93,3.87,;2.41,4.27,;2.82,2.75,;3.18,5.6,;2.41,6.94,;4.72,5.6,;5.49,6.94,;1.81,.89,;-.76,-2.32,;-2.09,-1.55,;-3.43,-2.31,;-4.76,-1.54,;-3.43,-3.86,;-2.09,-4.63,;-2.09,-6.17,;-.76,-3.85,;.58,-4.62,;-4.76,-4.62,;-4.76,-6.17,;-3.43,-6.94,;-6.08,-6.93,;-7.42,-6.17,;-7.42,-4.63,;-8.57,-3.6,;-7.94,-2.19,;-6.41,-2.35,;-6.09,-3.86,)|
Structure:
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