Reaction Details Report a problem with these data
Target
GTPase KRas [G12D]
Ligand
BDBM591375
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
>10000±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 [G12D]
Synonyms:
GTPase KRas (G12D) | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
21713.12
Organism:
Homo sapiens (Human)
Description:
P01116[G12D]
Residue:
189
Sequence:
MTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM591375
Synonyms:
US11566007, Example A53
Type:
Small organic molecule
Emp. Form.:
C52H65FN6O8
Mol. Mass.:
921.1063
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3cc(F)c1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)-c1ccccc1CCOC |r,wU:21.41,40.48,wD:13.18,48.52,(-6.62,-7.73,;-7.39,-6.4,;-6.62,-5.06,;-7.52,-3.82,;-6.62,-2.57,;-6.62,-1.03,;-5.28,-.26,;-3.79,.14,;-4.19,-1.35,;-5.14,1.57,;-3.8,2.34,;-3.8,3.88,;-5.14,4.65,;-2.47,4.65,;-2.47,6.19,;-1.14,6.96,;.2,6.19,;.2,4.65,;-1.14,3.88,;1.53,3.88,;2.86,4.65,;1.53,2.34,;.2,1.57,;.2,.03,;1.53,-.74,;1.53,-2.28,;2.86,-3.05,;.2,-3.05,;-1.14,-2.28,;-1.14,-.74,;-2.48,-3.05,;-2.48,-4.59,;-3.82,-5.36,;-3.82,-6.9,;-5.15,-4.59,;-5.15,-3.05,;-3.82,-2.28,;2.86,1.57,;4.2,2.34,;4.2,3.88,;5.53,1.57,;5.53,.03,;6.87,-.74,;4.2,-.74,;6.87,2.34,;6.87,3.88,;8.2,1.57,;8.2,.03,;9.53,2.34,;11,1.86,;11.9,3.11,;11,4.36,;9.53,3.88,;11.4,5.84,;10.31,6.93,;12.88,6.24,;13.28,7.73,;-9.01,-4.21,;-10.12,-5.27,;-11.97,-5.53,;-13.28,-4.8,;-12.22,-3.74,;-10.37,-3.49,;-9.97,-2,;-11.06,-.91,;-10.66,.58,;-11.75,1.67,)|
Structure:
Search PDB for entries with ligand similarity: