Reaction Details Report a problem with these data
Target
GTPase NRas
Ligand
BDBM591985
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:
BDBM591985
Synonyms:
US11566007, Example A665
Type:
Small organic molecule
Emp. Form.:
C55H74N10O8S
Mol. Mass.:
1035.303
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)N1CCN(C(=O)\C=C\CN2CCOCC2)C2(CC2)C1)-c1cccnc1[C@H](C)OC |r,wU:21.38,70.79,37.45,wD:13.18,(-10.62,-7.3,;-11.71,-6.21,;-11.31,-4.72,;-12.22,-3.48,;-11.31,-2.23,;-11.31,-.69,;-9.98,.08,;-8.49,.48,;-8.89,-1.01,;-9.84,1.91,;-8.5,2.68,;-8.5,4.22,;-9.84,4.99,;-7.17,4.99,;-7.17,6.53,;-5.83,7.3,;-4.5,6.53,;-4.5,4.99,;-5.83,4.22,;-3.17,4.22,;-1.83,4.99,;-3.17,2.68,;-4.5,1.91,;-4.5,.37,;-5.83,-.4,;-5.85,-1.94,;-4.5,-2.71,;-3.24,-1.05,;-7.18,-2.71,;-7.18,-4.25,;-8.51,-5.02,;-9.85,-4.25,;-9.85,-2.71,;-8.51,-1.94,;-1.83,1.91,;-.5,2.68,;-.5,4.22,;.83,1.91,;.83,.37,;2.17,-.4,;-.5,-.4,;2.17,2.68,;2.17,4.22,;3.5,1.91,;3.5,.37,;4.84,2.68,;6.17,1.91,;7.5,2.68,;7.5,4.22,;8.84,4.99,;8.84,6.53,;10.17,4.22,;11.5,4.99,;12.84,4.22,;14.17,4.99,;15.5,4.22,;16.84,4.99,;16.84,6.53,;15.5,7.3,;14.17,6.53,;6.17,4.99,;6.94,6.32,;5.4,6.32,;4.84,4.22,;-13.76,-3.48,;-14.53,-4.81,;-16.07,-4.81,;-16.84,-3.48,;-16.07,-2.14,;-14.53,-2.14,;-13.76,-.81,;-12.22,-.81,;-14.53,.52,;-13.76,1.86,)|
Structure:
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