Reaction Details Report a problem with these data
Target
GTPase NRas
Ligand
BDBM591489
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:
BDBM591489
Synonyms:
US11566007, Example A167
Type:
Small organic molecule
Emp. Form.:
C53H68N6O8
Mol. Mass.:
917.1424
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)-c1cc(C)ccc1[C@H](C)OC |r,wU:21.40,39.47,63.70,wD:13.18,47.51,(-6.97,-7.38,;-7.74,-6.04,;-6.97,-4.71,;-7.87,-3.46,;-6.97,-2.22,;-6.97,-.68,;-5.63,.09,;-4.09,.09,;-4.86,-1.24,;-5.49,1.92,;-4.15,2.69,;-4.15,4.23,;-5.49,5,;-2.82,5,;-2.82,6.54,;-1.49,7.31,;-.15,6.54,;-.15,5,;-1.49,4.23,;1.18,4.23,;2.51,5,;1.18,2.69,;-.15,1.92,;-.15,.38,;1.18,-.39,;1.18,-1.93,;2.51,-2.7,;-.15,-2.7,;-1.49,-1.93,;-1.49,-.39,;-2.83,-2.69,;-2.83,-4.23,;-4.17,-5,;-5.5,-4.23,;-5.5,-2.69,;-4.17,-1.92,;2.51,1.92,;3.85,2.69,;3.85,4.23,;5.18,1.92,;5.18,.38,;3.85,-.39,;6.51,-.39,;6.51,2.69,;6.51,4.23,;7.85,1.92,;7.85,.38,;9.18,2.69,;10.65,2.22,;11.55,3.46,;10.65,4.71,;9.18,4.23,;11.42,6.04,;10.65,7.38,;12.96,6.04,;13.73,7.38,;-9.41,-3.46,;-10.66,-4.36,;-12.53,-4.36,;-13.3,-5.69,;-13.73,-3.46,;-12.53,-2.56,;-10.66,-2.56,;-9.89,-1.22,;-8.35,-1.22,;-10.66,.11,;-12.2,.11,)|
Structure:
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