Reaction Details Report a problem with these data
Target
GTPase KRas [G12V]
Ligand
BDBM592007
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
550±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 [G12V]
Synonyms:
KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
21698.18
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
189
Sequence:
MTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM592007
Synonyms:
US11566007, Example A687
Type:
Small organic molecule
Emp. Form.:
C50H65N9O7S
Mol. Mass.:
936.172
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1C[C@@H]2CN(CC[C@H]12)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,63.71,37.45,wD:13.18,52.57,47.51,(-8.14,-7.3,;-9.23,-6.21,;-8.83,-4.72,;-9.74,-3.48,;-8.83,-2.23,;-8.83,-.69,;-7.5,.08,;-6.01,.48,;-6.41,-1.01,;-7.35,1.91,;-6.02,2.68,;-6.02,4.22,;-7.35,4.99,;-4.69,4.99,;-4.69,6.53,;-3.35,7.3,;-2.02,6.53,;-2.02,4.99,;-3.35,4.22,;-.68,4.22,;.65,4.99,;-.68,2.68,;-2.02,1.91,;-2.02,.37,;-3.35,-.4,;-3.35,-1.94,;-2.02,-2.71,;-.68,-.4,;-4.7,-2.71,;-4.7,-4.25,;-6.03,-5.02,;-7.37,-4.25,;-7.37,-2.71,;-6.03,-1.94,;.65,1.91,;1.98,2.68,;1.98,4.22,;3.32,1.91,;3.32,.37,;4.65,-.4,;1.98,-.4,;4.65,2.68,;4.65,4.22,;5.98,1.91,;5.98,.37,;7.32,2.68,;7.72,4.17,;9.2,3.77,;10.69,4.17,;11.78,3.08,;11.38,1.59,;9.89,1.19,;8.8,2.28,;13.27,3.48,;13.67,4.96,;14.36,2.39,;13.96,.9,;-11.28,-3.48,;-12.05,-4.81,;-13.59,-4.81,;-14.36,-3.48,;-13.59,-2.14,;-12.05,-2.14,;-11.28,-.81,;-9.74,-.81,;-12.05,.52,;-13.59,.52,)|
Structure:
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