Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM591906
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:
BDBM591906
Synonyms:
US11566007, Example A586
Type:
Small organic molecule
Emp. Form.:
C51H67N9O7S
Mol. Mass.:
950.199
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)N1CC2(CC2)N(C[C@@H]1C)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,64.72,37.45,wD:13.18,52.59,(-7.96,-7.3,;-9.04,-6.21,;-8.65,-4.72,;-9.55,-3.48,;-8.65,-2.23,;-8.65,-.69,;-7.31,.08,;-5.82,.48,;-6.22,-1.01,;-7.17,1.91,;-5.83,2.68,;-5.83,4.22,;-7.17,4.99,;-4.5,4.99,;-4.5,6.53,;-3.17,7.3,;-1.83,6.53,;-1.83,4.99,;-3.17,4.22,;-.5,4.22,;.83,4.99,;-.5,2.68,;-1.83,1.91,;-1.83,.37,;-3.17,-.4,;-3.17,-1.94,;-1.83,-2.71,;-.5,-.4,;-4.51,-2.71,;-4.51,-4.25,;-5.85,-5.02,;-7.18,-4.25,;-7.18,-2.71,;-5.85,-1.94,;.83,1.91,;2.17,2.68,;2.17,4.22,;3.5,1.91,;3.5,.37,;2.17,-.4,;4.84,-.4,;4.84,2.68,;4.84,4.22,;6.17,1.91,;6.17,.37,;7.5,2.68,;7.5,4.22,;8.84,4.99,;9.61,6.32,;8.07,6.32,;10.17,4.22,;10.17,2.68,;8.84,1.91,;8.84,.37,;11.5,4.99,;11.5,6.53,;12.84,4.22,;14.17,4.99,;-11.09,-3.48,;-11.86,-4.81,;-13.4,-4.81,;-14.17,-3.48,;-13.4,-2.14,;-11.86,-2.14,;-11.09,-.81,;-9.55,-.81,;-11.86,.52,;-13.4,.52,)|
Structure:
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