Reaction Details Report a problem with these data
Target
GTPase NRas
Ligand
BDBM591689
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:
BDBM591689
Synonyms:
US11566007, Example A368
Type:
Small organic molecule
Emp. Form.:
C49H65N9O7S
Mol. Mass.:
924.162
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)N1CC(CN(C)C(=O)C=C)C1)-c1cccnc1[C@H](C)OC |r,wU:62.69,21.38,37.45,wD:13.18,(-9.59,-7.34,;-10.36,-6.01,;-9.59,-4.68,;-10.49,-3.43,;-9.59,-2.18,;-9.59,-.64,;-8.26,.13,;-7.17,-.96,;-6.77,.52,;-8.11,1.95,;-6.78,2.72,;-6.78,4.26,;-8.11,5.03,;-5.44,5.03,;-5.44,6.57,;-4.11,7.34,;-2.78,6.57,;-2.78,5.03,;-4.11,4.26,;-1.44,4.26,;-.11,5.03,;-1.44,2.72,;-2.78,1.95,;-2.78,.41,;-4.11,-.36,;-4.11,-1.9,;-2.78,-2.67,;-1.44,-.36,;-5.46,-2.66,;-5.46,-4.2,;-6.79,-4.97,;-8.12,-4.2,;-8.12,-2.66,;-6.79,-1.89,;-.11,1.95,;1.22,2.72,;1.22,4.26,;2.56,1.95,;2.56,.41,;1.22,-.36,;3.89,-.36,;3.89,2.72,;3.89,4.26,;5.23,1.95,;5.23,.41,;6.56,2.72,;8.05,2.33,;8.45,3.81,;9.78,4.58,;11.11,3.81,;11.11,2.27,;12.45,4.58,;12.45,6.12,;13.78,3.81,;15.11,4.58,;6.96,4.21,;-12.03,-3.43,;-12.8,-4.76,;-14.34,-4.76,;-15.11,-3.43,;-14.34,-2.1,;-12.8,-2.1,;-12.03,-.76,;-10.49,-.76,;-12.8,.57,;-12.03,1.9,)|
Structure:
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