Reaction Details Report a problem with these data
Target
GTPase NRas [Q61R]
Ligand
BDBM591653
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
5500±n/a nM
Citation
 Koltun, ES; Cregg, J; Gill, AL; Buckl, A; Liu, Y Ras inhibitors US Patent  US11566007 Publication Date 1/31/2023 
Target
Name:
GTPase NRas [Q61R]
Synonyms:
HRAS1 | NRAS | RASN_HUMAN
Type:
PROTEIN
Mol. Mass.:
21252.97
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
189
Sequence:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGREEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKCDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMKKLNSSDDGTQGCMGLPCVVM
  
Inhibitor
Name:
BDBM591653
Synonyms:
US11566007, Example A332
Type:
Small organic molecule
Emp. Form.:
C51H62F3N7O7
Mol. Mass.:
942.0759
SMILES:
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:28.53,51.60,2.2,wD:20.26,59.64,(-11.94,.88,;-10.4,.88,;-9.63,-.45,;-8.09,-.45,;-10.4,-1.78,;-11.94,-1.78,;-12.71,-3.12,;-11.94,-4.45,;-10.4,-4.45,;-9.63,-3.12,;-8.09,-3.12,;-7.19,-1.87,;-7.19,-.33,;-5.85,.44,;-4.37,.84,;-4.76,-.65,;-5.71,2.27,;-4.37,3.04,;-4.37,4.58,;-5.71,5.35,;-3.04,5.35,;-3.04,6.89,;-1.71,7.66,;-.37,6.89,;-.37,5.35,;-1.71,4.58,;.96,4.58,;2.29,5.35,;.96,3.04,;-.37,2.27,;-.37,.73,;.96,-.04,;.96,-1.58,;-.37,-2.35,;-1.71,-1.62,;-1.71,-.04,;-3.05,-2.35,;-3.05,-3.89,;-4.39,-4.66,;-5.72,-3.89,;-7.19,-4.36,;-7.58,-5.85,;-6.5,-6.94,;-6.89,-8.43,;-5.01,-6.54,;-5.41,-8.03,;-5.72,-2.35,;-4.39,-1.58,;2.29,2.27,;3.63,3.04,;3.63,4.58,;4.96,2.27,;4.96,.73,;6.29,-.04,;3.63,-.04,;6.29,3.04,;6.29,4.58,;7.63,2.27,;7.63,.73,;8.96,3.04,;10.43,2.56,;11.33,3.81,;10.43,5.05,;8.96,4.58,;10.83,6.54,;9.74,7.63,;12.31,6.94,;12.71,8.43,)|
Structure:
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