Reaction Details Report a problem with these data
Target
GTPase NRas [Q61R]
Ligand
BDBM591694
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:
BDBM591694
Synonyms:
US11566007, Example A373
Type:
Small organic molecule
Emp. Form.:
C52H67N7O7
Mol. Mass.:
902.1311
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN([C@@H]1C)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:62.69,21.39,38.46,46.50,wD:13.18,50.56,(-7.65,-7.34,;-8.42,-6.01,;-7.65,-4.68,;-8.56,-3.43,;-7.65,-2.18,;-7.65,-.64,;-6.32,.13,;-5.23,-.96,;-4.83,.52,;-6.17,1.95,;-4.84,2.72,;-4.84,4.26,;-6.17,5.03,;-3.51,5.03,;-3.51,6.57,;-2.17,7.34,;-.84,6.57,;-.84,5.03,;-2.17,4.26,;.49,4.26,;1.83,5.03,;.49,2.72,;-.84,1.95,;-.84,.41,;.49,-.36,;.49,-1.9,;-.84,-2.67,;-2.17,-1.9,;-2.17,-.36,;-3.52,-2.66,;-3.52,-4.2,;-4.85,-4.97,;-6.19,-4.2,;-6.19,-2.66,;-4.85,-1.89,;1.83,1.95,;3.16,2.72,;3.16,4.26,;4.5,1.95,;4.5,.41,;5.83,-.36,;3.16,-.36,;5.83,2.72,;5.83,4.26,;7.16,1.95,;7.16,.41,;8.5,2.72,;8.5,4.26,;9.96,4.74,;10.87,3.49,;9.96,2.25,;10.73,.91,;12.41,3.49,;13.18,2.16,;13.18,4.83,;12.41,6.16,;-10.1,-3.43,;-10.87,-4.76,;-12.41,-4.76,;-13.18,-3.43,;-12.41,-2.1,;-10.87,-2.1,;-10.1,-.76,;-8.56,-.76,;-10.87,.57,;-10.1,1.9,)|
Structure:
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