Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM591679
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
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:
BDBM591679
Synonyms:
US11566007, Example A358
Type:
Small organic molecule
Emp. Form.:
C51H63N7O8
Mol. Mass.:
902.088
SMILES:
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N1CO[C@]2(CCN(C2)C(=O)C=C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:62.70,21.39,38.46,45.49,wD:13.18,(-7.64,-7.34,;-8.41,-6.01,;-7.64,-4.68,;-8.54,-3.43,;-7.64,-2.18,;-7.64,-.64,;-6.3,.13,;-5.21,-.96,;-4.81,.52,;-6.16,1.95,;-4.82,2.72,;-4.82,4.26,;-6.16,5.03,;-3.49,5.03,;-3.49,6.57,;-2.16,7.34,;-.82,6.57,;-.82,5.03,;-2.16,4.26,;.51,4.26,;1.84,5.03,;.51,2.72,;-.82,1.95,;-.82,.41,;.51,-.36,;.51,-1.9,;-.82,-2.67,;-2.16,-1.9,;-2.16,-.36,;-3.5,-2.66,;-3.5,-4.2,;-4.84,-4.97,;-6.17,-4.2,;-6.17,-2.66,;-4.84,-1.89,;1.84,1.95,;3.18,2.72,;3.18,4.26,;4.51,1.95,;4.51,.41,;5.85,-.36,;3.18,-.36,;5.85,2.72,;5.85,4.26,;7.31,4.74,;8.22,3.49,;9.12,4.74,;10.58,4.26,;10.58,2.72,;9.12,2.25,;11.67,1.64,;13.16,2.03,;11.28,.15,;9.79,-.25,;7.31,2.25,;8.08,.91,;-10.08,-3.43,;-10.85,-4.76,;-12.39,-4.76,;-13.16,-3.43,;-12.39,-2.1,;-10.85,-2.1,;-10.08,-.76,;-8.54,-.76,;-10.85,.57,;-10.08,1.9,)|
Structure:
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