Reaction Details Report a problem with these data
Target
GTPase NRas
Ligand
BDBM592012
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
>10000±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:
BDBM592012
Synonyms:
Synthesis of (3S)-1-(4-(dimethylamino)-4-methylpent-2-ynoyl)-N-((2S)-1-(((63S,4S)-11-ethyl-12-(2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(5,2)-oxazola-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)amino)-3-methyl-1-oxobutan-2-yl)-N-methylpyrrolidine-3-carboxamide | US11566007, Example A692
Type:
Small organic molecule
Emp. Form.:
C53H71N9O8
Mol. Mass.:
962.1863
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3ncc(o3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C)-c1cccnc1[C@H](C)OC |r,wU:21.38,66.73,37.45,wD:13.18,45.49,(-8.73,-8.63,;-9.82,-7.54,;-9.42,-6.05,;-10.32,-4.8,;-9.42,-3.56,;-9.42,-2.02,;-8.08,-1.25,;-6.6,-.85,;-6.99,-2.34,;-7.94,.58,;-6.61,1.35,;-6.61,2.89,;-7.94,3.66,;-5.27,3.66,;-5.27,5.2,;-3.94,5.97,;-2.6,5.2,;-2.6,3.66,;-3.94,2.89,;-1.27,2.89,;.06,3.66,;-1.27,1.35,;-2.6,.58,;-2.6,-.96,;-1.55,-2.32,;-2.4,-3.7,;-3.94,-3.27,;-3.94,-1.73,;-5.29,-4.03,;-5.29,-5.57,;-6.62,-6.34,;-7.95,-5.57,;-7.95,-4.03,;-6.62,-3.26,;.06,.58,;1.4,1.35,;1.4,2.89,;2.73,.58,;2.73,-.96,;4.06,-1.73,;1.4,-1.73,;4.06,1.35,;4.06,2.89,;5.4,.58,;5.4,-.96,;6.73,1.35,;8.2,.87,;9.1,2.12,;8.2,3.37,;6.73,2.89,;8.59,4.85,;7.51,5.94,;10.08,5.25,;11.57,5.65,;13.06,6.05,;14.15,4.96,;14.54,6.45,;13.46,7.54,;12.37,8.63,;14.94,7.94,;-11.86,-4.8,;-12.63,-6.14,;-14.17,-6.14,;-14.94,-4.8,;-14.17,-3.47,;-12.63,-3.47,;-11.86,-2.14,;-10.32,-2.14,;-12.63,-.8,;-11.86,.53,)|
Structure:
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