Reaction Details Report a problem with these data
Target
GTPase KRas [G12C]
Ligand
BDBM591983
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
<10.00±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 KRas [G12C]
Synonyms:
GTPase KRas (G12C) | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
21702.19
Organism:
Homo sapiens (Human)
Description:
P01116[G12C]
Residue:
189
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM591983
Synonyms:
The synthesis of (2R)-2-(((1-(4-(dimethylamino)-4-methylpent-2-ynoyl)405yridine405-3-yl)oxy)methyl)-N-((63S,4S)-11-ethyl-12-(2-((S)-1-methoxyethyl)405yridine-3-yl)-10,10-dimethyl-5,7-dioxo-21,22,23,26,61,62,63,64,65,66-decahydro-11H-8-oxa-1(5,3)-indola-6(1,3)-pyridazina-2(5,1)-pyridinacycloundecaphane-4-yl)-3-methylbutanamide | US11566007, Example A663
Type:
Small organic molecule
Emp. Form.:
C53H74N8O7
Mol. Mass.:
935.2041
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](CN3CCC=C(C3)c3ccc1c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C)-c1cccnc1[C@H](C)OC |r,wU:38.42,21.39,64.71,wD:13.18,c:27,(-9.57,-7.3,;-10.65,-6.21,;-10.26,-4.72,;-11.16,-3.48,;-10.26,-2.23,;-10.26,-.69,;-8.92,.08,;-7.43,.48,;-8.15,-1.25,;-8.78,1.91,;-7.44,2.68,;-7.44,4.22,;-8.78,4.99,;-6.11,4.99,;-6.11,6.53,;-4.78,7.3,;-3.44,6.53,;-3.44,4.99,;-4.78,4.22,;-2.11,4.22,;-.78,4.99,;-2.11,2.68,;-3.44,1.91,;-3.44,.37,;-2.11,-.4,;-2.11,-1.94,;-3.44,-2.71,;-4.79,-1.94,;-4.78,-.4,;-6.12,-2.71,;-6.12,-4.25,;-7.46,-5.02,;-8.79,-4.25,;-8.79,-2.71,;-7.46,-1.94,;-.78,1.91,;.56,2.68,;.56,4.22,;1.89,1.91,;3.23,2.68,;4.56,1.91,;5.89,2.68,;7.38,2.28,;7.78,3.77,;6.29,4.17,;9.11,4.54,;9.11,6.08,;10.45,3.77,;11.78,3,;13.11,2.23,;12.34,.89,;13.88,.89,;14.45,3,;15.78,2.23,;14.45,4.54,;1.89,.37,;3.23,-.4,;.56,-.4,;-12.7,-3.48,;-13.47,-4.81,;-15.01,-4.81,;-15.78,-3.48,;-15.01,-2.14,;-13.47,-2.14,;-12.7,-.81,;-11.16,-.81,;-13.47,.52,;-15.01,.52,)|
Structure:
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