Reaction Details Report a problem with these data
Target
GTPase KRas [G13C]
Ligand
BDBM591926
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 KRas [G13C]
Synonyms:
KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
21702.19
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
189
Sequence:
MTEYKLVVVGAGCVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM591926
Synonyms:
US11566007, Example A606
Type:
Small organic molecule
Emp. Form.:
C52H68F3N11O8
Mol. Mass.:
1032.1604
SMILES:
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(-c4ccc(n1CC(F)(F)F)c2c4)n(C)n3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)C=C |r,wU:28.53,2.2,51.60,wD:20.26,(-10.42,1.83,;-11.19,.5,;-10.42,-.83,;-8.88,-.83,;-11.19,-2.17,;-12.73,-2.17,;-13.5,-3.5,;-12.73,-4.84,;-11.19,-4.84,;-10.42,-3.5,;-8.88,-3.5,;-7.98,-2.26,;-7.98,-.72,;-6.65,.05,;-5.16,.45,;-5.56,-1.04,;-6.5,1.88,;-5.17,2.65,;-5.17,4.19,;-6.5,4.96,;-3.83,4.96,;-3.83,6.5,;-2.5,7.27,;-1.17,6.5,;-1.17,4.96,;-2.5,4.19,;.17,4.19,;1.5,4.96,;.17,2.65,;-1.17,1.88,;-1.17,.34,;-2.5,-.43,;-2.51,-1.96,;-3.85,-2.73,;-3.85,-4.27,;-5.18,-5.04,;-6.51,-4.27,;-7.98,-4.75,;-8.38,-6.24,;-7.29,-7.32,;-5.8,-6.93,;-7.69,-8.81,;-6.2,-8.41,;-6.51,-2.73,;-5.18,-1.96,;-1.18,-2.74,;-.78,-4.23,;-.26,-1.07,;1.5,1.88,;2.83,2.65,;2.83,4.19,;4.17,1.88,;4.17,.34,;2.83,-.43,;5.5,-.43,;5.5,2.65,;5.5,4.19,;6.84,1.88,;6.84,.34,;8.17,2.65,;9.5,1.88,;10.84,2.65,;10.84,4.19,;9.5,4.96,;8.17,4.19,;10.84,5.73,;12.17,6.5,;13.5,5.73,;13.5,4.19,;12.17,3.42,;12.17,8.04,;13.5,8.81,;10.84,8.81,;9.5,8.04,)|
Structure:
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