Reaction Details Report a problem with these data
Target
GTPase NRas [Q61R]
Ligand
BDBM591656
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:
BDBM591656
Synonyms:
US11566007, Example A335
Type:
Small organic molecule
Emp. Form.:
C51H63F2N7O7
Mol. Mass.:
924.0854
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)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:28.52,50.59,2.2,wD:20.26,58.63,(-11.94,.85,;-10.4,.85,;-9.63,-.48,;-8.09,-.48,;-10.4,-1.81,;-11.94,-1.81,;-12.71,-3.15,;-11.94,-4.48,;-10.4,-4.48,;-9.63,-3.15,;-8.09,-3.15,;-7.19,-1.9,;-7.19,-.36,;-5.85,.41,;-4.31,.41,;-5.08,-.93,;-5.71,2.24,;-4.37,3.01,;-4.37,4.55,;-5.71,5.32,;-3.04,5.32,;-3.04,6.86,;-1.71,7.63,;-.37,6.86,;-.37,5.32,;-1.71,4.55,;.96,4.55,;2.29,5.32,;.96,3.01,;-.37,2.24,;-.37,.7,;.96,-.07,;.96,-1.61,;-.37,-2.38,;-1.71,-1.65,;-1.71,-.07,;-3.05,-2.38,;-3.05,-3.92,;-4.39,-4.69,;-5.72,-3.92,;-7.19,-4.39,;-7.96,-5.73,;-7.19,-7.06,;-7.96,-8.4,;-5.65,-7.06,;-5.72,-2.38,;-4.39,-1.61,;2.29,2.24,;3.63,3.01,;3.63,4.55,;4.96,2.24,;4.96,.7,;6.29,-.07,;3.63,-.07,;6.29,3.01,;6.29,4.55,;7.63,2.24,;7.63,.7,;8.96,3.01,;10.43,2.53,;11.33,3.78,;10.43,5.02,;8.96,4.55,;10.83,6.51,;9.74,7.6,;12.31,6.91,;12.71,8.4,)|
Structure:
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