Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM592024
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:
BDBM592024
Synonyms:
US11566007, Example A704
Type:
Small organic molecule
Emp. Form.:
C50H67N9O7S
Mol. Mass.:
938.188
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)N(C)[C@@H]1C[C@@H](C1)N(C)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,63.70,37.45,wD:13.18,47.51,49.56,(-8.9,-7.3,;-9.99,-6.21,;-9.59,-4.72,;-10.49,-3.48,;-9.59,-2.23,;-9.59,-.69,;-8.26,.08,;-6.77,.48,;-7.17,-1.01,;-8.11,1.91,;-6.78,2.68,;-6.78,4.22,;-8.11,4.99,;-5.44,4.99,;-5.44,6.53,;-4.11,7.3,;-2.78,6.53,;-2.78,4.99,;-4.11,4.22,;-1.44,4.22,;-.11,4.99,;-1.44,2.68,;-2.78,1.91,;-2.78,.37,;-4.11,-.4,;-4.11,-1.94,;-2.78,-2.71,;-1.44,-.4,;-5.46,-2.71,;-5.46,-4.25,;-6.79,-5.02,;-8.12,-4.25,;-8.12,-2.71,;-6.79,-1.94,;-.11,1.91,;1.22,2.68,;1.22,4.22,;2.56,1.91,;2.56,.37,;3.89,-.4,;1.22,-.4,;3.89,2.68,;3.89,4.22,;5.23,1.91,;5.23,.37,;6.56,2.68,;6.56,4.22,;7.89,1.91,;9.38,2.31,;9.78,.82,;8.29,.42,;11.11,.05,;11.11,-1.49,;12.45,.82,;12.45,2.36,;13.78,.05,;15.11,.82,;-12.03,-3.48,;-12.8,-4.81,;-14.34,-4.81,;-15.11,-3.48,;-14.34,-2.14,;-12.8,-2.14,;-12.03,-.81,;-10.49,-.81,;-12.8,.52,;-14.34,.52,)|
Structure:
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