Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM591923
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
Synonyms:
GTPase KRas, N-terminally processed | K-Ras 2 | KRAS | KRAS2 | Ki-Ras | RASK2 | RASK_HUMAN | c-K-ras | c-Ki-ras
Type:
PROTEIN
Mol. Mass.:
21656.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1476955
Residue:
189
Sequence:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM591923
Synonyms:
US11566007, Example A603
Type:
Small organic molecule
Emp. Form.:
C50H62F3N9O7S
Mol. Mass.:
990.144
SMILES:
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CC2(C1)CCN(C2)C(=O)C=C |r,wU:28.52,2.2,50.59,wD:20.26,(-10.59,2.03,;-11.36,.69,;-10.59,-.64,;-9.05,-.64,;-11.36,-1.97,;-12.9,-1.97,;-13.67,-3.31,;-12.9,-4.64,;-11.36,-4.64,;-10.59,-3.31,;-9.05,-3.31,;-8.14,-2.06,;-8.14,-.52,;-6.81,.25,;-5.32,.65,;-5.72,-.84,;-6.66,2.08,;-5.33,2.85,;-5.33,4.39,;-6.66,5.16,;-4,5.16,;-4,6.7,;-2.66,7.47,;-1.33,6.7,;-1.33,5.16,;-2.66,4.39,;0,4.39,;1.34,5.16,;0,2.85,;-1.33,2.08,;-1.33,.54,;-2.66,-.23,;-2.68,-1.77,;-1.33,-2.54,;-.02,-.93,;-4.01,-2.54,;-4.01,-4.08,;-5.34,-4.85,;-6.68,-4.08,;-8.14,-4.55,;-8.54,-6.04,;-7.45,-7.13,;-5.96,-6.73,;-7.85,-8.62,;-6.36,-8.22,;-6.68,-2.54,;-5.34,-1.77,;1.34,2.08,;2.67,2.85,;2.67,4.39,;4.01,2.08,;4.01,.54,;2.67,-.23,;5.34,-.23,;5.34,2.85,;5.34,4.39,;6.67,2.08,;6.67,.54,;8.01,2.85,;9.49,2.45,;9.89,3.94,;8.41,4.33,;11.36,3.46,;12.26,4.71,;11.36,5.95,;9.89,5.48,;12.13,7.28,;13.67,7.28,;11.36,8.62,;9.82,8.62,)|
Structure:
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