Reaction Details Report a problem with these data
Target
GTPase NRas
Ligand
BDBM591670
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:
BDBM591670
Synonyms:
US11566007, Example A349
Type:
Small organic molecule
Emp. Form.:
C49H67N9O6S
Mol. Mass.:
910.178
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)CN(C)[C@@H]1CCN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,37.45,61.68,wD:13.18,46.50,(-7.87,-7.34,;-8.64,-6.01,;-7.87,-4.68,;-8.77,-3.43,;-7.87,-2.18,;-7.87,-.64,;-6.53,.13,;-5.04,.52,;-5.44,-.96,;-6.39,1.95,;-5.05,2.72,;-5.05,4.26,;-6.39,5.03,;-3.72,5.03,;-3.72,6.57,;-2.39,7.34,;-1.05,6.57,;-1.05,5.03,;-2.39,4.26,;.28,4.26,;1.61,5.03,;.28,2.72,;-1.05,1.95,;-1.05,.41,;-2.39,-.36,;-2.39,-1.94,;-1.05,-2.67,;.28,-.36,;-3.73,-2.66,;-3.73,-4.2,;-5.07,-4.97,;-6.4,-4.2,;-6.4,-2.66,;-5.07,-1.89,;1.61,1.95,;2.95,2.72,;2.95,4.26,;4.28,1.95,;4.28,.41,;5.62,-.36,;2.95,-.36,;5.62,2.72,;5.62,4.26,;6.95,1.95,;8.28,2.72,;8.28,4.26,;9.62,1.95,;11.08,2.43,;11.99,1.18,;11.08,-.06,;9.62,.41,;11.85,-1.4,;13.39,-1.4,;11.08,-2.73,;11.85,-4.06,;-10.31,-3.43,;-11.08,-4.76,;-12.62,-4.76,;-13.39,-3.43,;-12.62,-2.1,;-11.08,-2.1,;-10.31,-.76,;-8.77,-.76,;-11.08,.57,;-12.62,.57,)|
Structure:
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