Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM50590543
Substrate
n/a
Meas. Tech.
ChEMBL_2197024 (CHEMBL5109540)
IC50
260±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:
Human
Description:
ChEMBL_1476955
Residue:
189
Sequence:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM50590543
Synonyms:
CHEMBL5186010
Type:
Small organic molecule
Emp. Form.:
C31H35ClFN7O2
Mol. Mass.:
592.107
SMILES:
CN(C)CCCOc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(9.23,-4.93,;7.9,-5.7,;7.9,-7.24,;6.57,-4.93,;5.23,-5.7,;3.9,-4.93,;2.56,-5.7,;1.23,-4.93,;1.22,-3.41,;-.11,-2.64,;-.11,-1.1,;-1.44,-.33,;-1.44,1.21,;-.11,1.98,;-1.21,3.09,;-.12,4.17,;.98,3.07,;-.12,5.71,;-1.46,6.48,;1.21,6.48,;1.21,8.02,;1.23,1.21,;1.23,-.33,;-1.43,-3.41,;-2.76,-2.64,;-4.09,-3.4,;-5.43,-2.63,;-4.09,-4.94,;-2.75,-5.72,;-2.75,-7.26,;-1.42,-4.94,;-.09,-5.71,;-5.43,-5.71,;-5.43,-7.25,;-4.09,-8.02,;-6.75,-8.02,;-8.09,-7.26,;-8.09,-5.72,;-9.23,-4.68,;-8.61,-3.28,;-7.07,-3.44,;-6.76,-4.95,)|
Structure:
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