Reaction Details Report a problem with these data
Target
GTPase NRas [Q61R]
Ligand
BDBM591903
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
550±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:
BDBM591903
Synonyms:
US11566007, Example A583
Type:
Small organic molecule
Emp. Form.:
C50H67N9O7S
Mol. Mass.:
938.188
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N(C)[C@@H]1CN(C[C@@H]1C)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,63.70,37.45,wD:13.18,47.51,51.57,(-7.63,-7.3,;-8.72,-6.21,;-8.32,-4.72,;-9.22,-3.48,;-8.32,-2.23,;-8.32,-.69,;-6.98,.08,;-5.5,.48,;-5.9,-1.01,;-6.84,1.91,;-5.51,2.68,;-5.51,4.22,;-6.84,4.99,;-4.17,4.99,;-4.17,6.53,;-2.84,7.3,;-1.51,6.53,;-1.51,4.99,;-2.84,4.22,;-.17,4.22,;1.16,4.99,;-.17,2.68,;-1.51,1.91,;-1.51,.37,;-2.84,-.4,;-2.84,-1.94,;-1.51,-2.71,;-.17,-.4,;-4.19,-2.71,;-4.19,-4.25,;-5.52,-5.02,;-6.85,-4.25,;-6.85,-2.71,;-5.52,-1.94,;1.16,1.91,;2.5,2.68,;2.5,4.22,;3.83,1.91,;3.83,.37,;2.5,-.4,;5.16,-.4,;5.16,2.68,;5.16,4.22,;6.5,1.91,;6.5,.37,;7.83,2.68,;7.83,4.22,;9.16,1.91,;10.63,2.38,;11.53,1.14,;10.63,-.11,;9.16,.37,;7.83,-.4,;13.07,1.14,;13.84,2.47,;13.84,-.2,;13.07,-1.53,;-10.76,-3.48,;-11.53,-4.81,;-13.07,-4.81,;-13.84,-3.48,;-13.07,-2.14,;-11.53,-2.14,;-10.76,-.81,;-9.22,-.81,;-11.53,.52,;-13.07,.52,)|
Structure:
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