Reaction Details Report a problem with these data
Target
GTPase NRas [Q61R]
Ligand
BDBM591998
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 [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:
BDBM591998
Synonyms:
US11566007, Example A678
Type:
Small organic molecule
Emp. Form.:
C51H67N9O7S
Mol. Mass.:
950.199
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)N1CCC11CCN(CC1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,64.72,37.45,wD:13.18,(-7.29,-7.3,;-8.38,-6.21,;-7.98,-4.72,;-8.89,-3.48,;-7.98,-2.23,;-7.98,-.69,;-6.65,.08,;-5.11,.08,;-5.88,-1.25,;-6.5,1.91,;-5.17,2.68,;-5.17,4.22,;-6.5,4.99,;-3.84,4.99,;-3.84,6.53,;-2.5,7.3,;-1.17,6.53,;-1.17,4.99,;-2.5,4.22,;.17,4.22,;1.5,4.99,;.17,2.68,;-1.17,1.91,;-1.17,.37,;-2.5,-.4,;-2.5,-1.94,;-1.17,-2.71,;.17,-.4,;-3.85,-2.71,;-3.85,-4.25,;-5.18,-5.02,;-6.52,-4.25,;-6.52,-2.71,;-5.18,-1.94,;1.5,1.91,;2.83,2.68,;2.83,4.22,;4.17,1.91,;4.17,.37,;5.5,-.4,;2.83,-.4,;5.5,2.68,;5.5,4.22,;6.83,1.91,;6.83,.37,;8.17,2.68,;8.57,4.17,;10.05,3.77,;9.66,2.28,;8.89,.95,;9.66,-.39,;11.2,-.39,;11.97,.95,;11.2,2.28,;11.97,-1.72,;13.51,-1.72,;11.2,-3.05,;11.97,-4.39,;-10.43,-3.48,;-11.2,-4.81,;-12.74,-4.81,;-13.51,-3.48,;-12.74,-2.14,;-11.2,-2.14,;-10.43,-.81,;-8.89,-.81,;-11.2,.52,;-12.74,.52,)|
Structure:
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