Reaction Details Report a problem with these data
Target
GTPase NRas [Q61K]
Ligand
BDBM591918
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 [Q61K]
Synonyms:
HRAS1 | NRAS | RASN_HUMAN
Type:
n/a
Mol. Mass.:
21224.96
Organism:
Homo sapiens (Human)
Description:
P01111[Q61K]
Residue:
189
Sequence:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGKEEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKCDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMKKLNSSDDGTQGCMGLPCVVM
  
Inhibitor
Name:
BDBM591918
Synonyms:
US11566007, Example A598
Type:
Small organic molecule
Emp. Form.:
C52H70N10O7S
Mol. Mass.:
979.24
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\CN(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.38,66.74,37.45,wD:13.18,(-9.37,-7.3,;-10.46,-6.21,;-10.06,-4.72,;-10.97,-3.48,;-10.06,-2.23,;-10.06,-.69,;-8.73,.08,;-7.24,.48,;-7.64,-1.01,;-8.59,1.91,;-7.25,2.68,;-7.25,4.22,;-8.59,4.99,;-5.92,4.99,;-5.92,6.53,;-4.59,7.3,;-3.25,6.53,;-3.25,4.99,;-4.59,4.22,;-1.92,4.22,;-.58,4.99,;-1.92,2.68,;-3.25,1.91,;-3.25,.37,;-4.59,-.4,;-4.6,-1.94,;-3.25,-2.71,;-1.92,-.4,;-5.93,-2.71,;-5.93,-4.25,;-7.27,-5.02,;-8.6,-4.25,;-8.6,-2.71,;-7.27,-1.94,;-.58,1.91,;.75,2.68,;.75,4.22,;2.08,1.91,;2.08,.37,;.75,-.4,;3.42,-.4,;3.42,2.68,;3.42,4.22,;4.75,1.91,;4.75,.37,;6.08,2.68,;6.48,4.17,;7.97,3.77,;7.57,2.28,;7.17,.79,;8.66,.39,;9.06,1.88,;9.43,-.94,;8.66,-2.27,;10.97,-.94,;11.74,.39,;13.28,.39,;14.05,1.73,;13.28,3.06,;15.59,1.73,;-12.51,-3.48,;-13.28,-4.81,;-14.82,-4.81,;-15.59,-3.48,;-14.82,-2.14,;-13.28,-2.14,;-12.51,-.81,;-10.97,-.81,;-13.28,.52,;-12.51,1.86,)|
Structure:
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