Reaction Details Report a problem with these data
Target
GTPase KRas [G12C]
Ligand
BDBM535155
Substrate
n/a
Meas. Tech.
Homogeneous Time Resolved Fluorescence (HTRF) Assay
IC50
960±n/a nM
Citation
 Malhotra, S; Xin, J; Do, S; Terrett, J Fused ring compounds US Patent  US11236068 Publication Date 2/1/2022 
Target
Name:
GTPase KRas [G12C]
Synonyms:
GTPase KRas (G12C) | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
21702.19
Organism:
Homo sapiens (Human)
Description:
P01116[G12C]
Residue:
189
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM535155
Synonyms:
US11236068, Example 18a | US11236068, Example 18b
Type:
Small organic molecule
Emp. Form.:
C30H33ClF5N7O2
Mol. Mass.:
654.074
SMILES:
C[C@H]1CN(CCN1c1nc(OC[C@@H]2CCCN2C)nc2c(F)c(c(Cl)cc12)-c1nc(N)cc(C)c1C(F)(F)F)C(=O)\C=C\CF |r,wD:1.0,12.12,(3.48,1.54,;2.15,2.31,;2.15,3.85,;.82,4.62,;-.52,3.85,;-.52,2.31,;.82,1.54,;.82,,;2.15,-.77,;2.15,-2.31,;3.48,-3.08,;4.82,-2.31,;6.15,-3.08,;7.61,-2.6,;8.52,-3.85,;7.61,-5.1,;6.15,-4.62,;4.82,-5.39,;.82,-3.08,;-.52,-2.31,;-1.85,-3.08,;-1.85,-4.62,;-3.19,-2.31,;-3.19,-.77,;-4.52,,;-1.85,,;-.52,-.77,;-4.52,-3.08,;-5.85,-2.31,;-7.19,-3.08,;-8.52,-2.31,;-7.19,-4.62,;-5.85,-5.39,;-5.85,-6.93,;-4.47,-4.65,;-3.14,-5.42,;-1.8,-6.19,;-2.37,-4.08,;-3.91,-6.75,;.82,6.16,;-.52,6.93,;2.15,6.93,;3.48,6.16,;4.82,6.93,;6.15,6.16,)|
Structure:
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