Reaction Details Report a problem with these data
Target
GTPase NRas
Ligand
BDBM591728
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:
BDBM591728
Synonyms:
US11566007, Example A407
Type:
Small organic molecule
Emp. Form.:
C49H63N9O7S
Mol. Mass.:
922.146
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)N1CCC11CN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:62.70,21.38,37.45,wD:13.18,(-7.75,-7.34,;-8.52,-6.01,;-7.75,-4.68,;-8.66,-3.43,;-7.75,-2.18,;-7.75,-.64,;-6.42,.13,;-4.88,.13,;-5.65,-1.21,;-6.28,1.95,;-4.94,2.72,;-4.94,4.26,;-6.28,5.03,;-3.61,5.03,;-3.61,6.57,;-2.28,7.34,;-.94,6.57,;-.94,5.03,;-2.28,4.26,;.39,4.26,;1.73,5.03,;.39,2.72,;-.94,1.95,;-.94,.41,;-2.28,-.36,;-2.28,-1.9,;-.94,-2.67,;.39,-.36,;-3.62,-2.66,;-3.62,-4.2,;-4.96,-4.97,;-6.29,-4.2,;-6.29,-2.66,;-4.96,-1.89,;1.73,1.95,;3.06,2.72,;3.06,4.26,;4.39,1.95,;4.39,.41,;3.06,-.36,;5.73,-.36,;5.73,2.72,;5.73,4.26,;7.06,1.95,;7.06,.41,;8.39,2.72,;8.79,4.21,;10.28,3.81,;9.88,2.33,;9.48,.84,;10.97,.44,;11.37,1.93,;11.74,-.89,;13.28,-.89,;10.97,-2.23,;11.74,-3.56,;-10.2,-3.43,;-10.97,-4.76,;-12.51,-4.76,;-13.28,-3.43,;-12.51,-2.1,;-10.97,-2.1,;-10.2,-.76,;-8.66,-.76,;-10.97,.57,;-12.51,.57,)|
Structure:
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