Reaction Details Report a problem with these data
Target
GTPase KRas [G12C]
Ligand
BDBM591920
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:
BDBM591920
Synonyms:
US11566007, Example A600
Type:
Small organic molecule
Emp. Form.:
C50H62N8O7
Mol. Mass.:
887.0767
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@@H](COc1ncc(NC(=O)C=C)n1C)C(C)C)-c1cccnc1C(C)OC |r,wU:38.42,21.39,wD:13.18,(-8.12,-7.3,;-9.21,-6.21,;-8.81,-4.72,;-9.71,-3.48,;-8.81,-2.23,;-8.81,-.69,;-7.47,.08,;-5.99,.48,;-6.38,-1.01,;-7.33,1.91,;-5.99,2.68,;-5.99,4.22,;-7.33,4.99,;-4.66,4.99,;-4.66,6.53,;-3.33,7.3,;-1.99,6.53,;-1.99,4.99,;-3.33,4.22,;-.66,4.22,;.67,4.99,;-.66,2.68,;-1.99,1.91,;-1.99,.37,;-.66,-.4,;-.66,-1.94,;-1.99,-2.71,;-3.34,-1.94,;-3.33,-.4,;-4.67,-2.71,;-4.67,-4.25,;-6.01,-5.02,;-7.34,-4.25,;-7.34,-2.71,;-6.01,-1.94,;.67,1.91,;2.01,2.68,;2.01,4.22,;3.34,1.91,;4.67,2.68,;6.01,1.91,;7.34,2.68,;7.34,4.22,;8.81,4.69,;9.71,3.45,;11.25,3.45,;12.02,4.78,;11.25,6.12,;13.56,4.78,;14.33,6.12,;8.81,2.2,;9.58,.87,;3.34,.37,;2.01,-.4,;4.67,-.4,;-11.25,-3.48,;-12.02,-4.81,;-13.56,-4.81,;-14.33,-3.48,;-13.56,-2.14,;-12.02,-2.14,;-11.25,-.81,;-9.71,-.81,;-12.02,.52,;-11.03,1.7,)|
Structure:
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