Reaction Details Report a problem with these data
Target
GTPase KRas [G12C]
Ligand
BDBM592027
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:
BDBM592027
Synonyms:
US11566007, Example A707
Type:
Small organic molecule
Emp. Form.:
C53H68F3N9O8
Mol. Mass.:
1016.1577
SMILES:
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3ncc(o3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C |r,wU:28.52,2.2,50.59,wD:20.26,58.63,(-11.86,1.08,;-12.63,-.26,;-11.86,-1.59,;-10.32,-1.59,;-12.63,-2.93,;-14.17,-2.93,;-14.94,-4.26,;-14.17,-5.59,;-12.63,-5.59,;-11.86,-4.26,;-10.32,-4.26,;-9.42,-3.01,;-9.42,-1.47,;-8.08,-.7,;-6.6,-.31,;-6.99,-1.79,;-7.94,1.13,;-6.61,1.9,;-6.61,3.44,;-7.94,4.21,;-5.27,4.21,;-5.27,5.75,;-3.94,6.52,;-2.6,5.75,;-2.6,4.21,;-3.94,3.44,;-1.27,3.44,;.06,4.21,;-1.27,1.9,;-2.6,1.13,;-2.6,-.41,;-1.58,-1.88,;-2.6,-3.49,;-3.94,-2.72,;-3.94,-1.18,;-5.29,-3.49,;-5.29,-5.03,;-6.62,-5.8,;-7.95,-5.03,;-9.42,-5.51,;-9.82,-6.99,;-8.73,-8.08,;-7.64,-9.17,;-7.64,-6.99,;-9.82,-9.17,;-7.95,-3.49,;-6.62,-2.72,;.06,1.13,;1.4,1.9,;1.4,3.44,;2.73,1.13,;2.73,-.41,;1.4,-1.18,;4.06,-1.18,;4.06,1.9,;4.06,3.44,;5.4,1.13,;5.4,-.41,;6.73,1.9,;8.2,1.42,;9.1,2.67,;8.2,3.91,;6.73,3.44,;8.59,5.4,;7.51,6.49,;10.08,5.8,;11.57,6.2,;13.06,6.59,;14.15,5.51,;14.54,6.99,;13.46,8.08,;14.94,8.48,;12.37,9.17,)|
Structure:
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