Reaction Details Report a problem with these data
Target
GTPase NRas
Ligand
BDBM591922
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
55.0±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
Synonyms:
HRAS1 | NRAS | RASN_HUMAN | Transforming protein N-Ras
Type:
PROTEIN
Mol. Mass.:
21223.91
Organism:
Homo sapiens (Human)
Description:
ChEMBL_839699
Residue:
189
Sequence:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKCDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMKKLNSSDDGTQGCMGLPCVVM
  
Inhibitor
Name:
BDBM591922
Synonyms:
US11566007, Example A602
Type:
Small organic molecule
Emp. Form.:
C52H65F4N9O7S
Mol. Mass.:
1036.187
SMILES:
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCC2(CN(C2)C(=O)\C=C\CF)CC1 |r,wU:28.52,2.2,50.59,wD:20.26,(-13.37,2.44,;-14.14,1.11,;-13.37,-.22,;-11.83,-.22,;-14.14,-1.56,;-15.68,-1.56,;-16.45,-2.89,;-15.68,-4.23,;-14.14,-4.23,;-13.37,-2.89,;-11.83,-2.89,;-10.92,-1.65,;-10.92,-.11,;-9.59,.66,;-8.1,1.06,;-8.5,-.42,;-9.44,2.49,;-8.11,3.26,;-8.11,4.8,;-9.44,5.57,;-6.78,5.57,;-6.78,7.11,;-5.44,7.88,;-4.11,7.11,;-4.11,5.57,;-5.44,4.8,;-2.78,4.8,;-1.44,5.57,;-2.78,3.26,;-4.11,2.49,;-4.11,.95,;-5.44,.18,;-5.46,-1.35,;-4.11,-2.13,;-2.8,-.51,;-6.79,-2.12,;-6.79,-3.66,;-8.12,-4.43,;-9.46,-3.66,;-10.92,-4.14,;-11.32,-5.63,;-10.23,-6.71,;-8.74,-6.32,;-10.63,-8.2,;-9.14,-7.8,;-9.46,-2.12,;-8.12,-1.35,;-1.44,2.49,;-.11,3.26,;-.11,4.8,;1.22,2.49,;1.22,.95,;-.11,.18,;2.56,.18,;2.56,3.26,;2.56,4.8,;3.89,2.49,;3.89,.95,;5.23,3.26,;6.56,2.49,;7.89,3.26,;7.89,4.8,;9.38,4.4,;9.78,5.89,;8.29,6.29,;11.11,6.66,;11.11,8.2,;12.45,5.89,;13.78,6.66,;15.11,5.89,;16.45,6.66,;6.56,5.57,;5.23,4.8,)|
Structure:
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