Reaction Details Report a problem with these data
Target
GTPase KRas [G12D]
Ligand
BDBM591869
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:
BDBM591869
Synonyms:
US11566007, Example A549
Type:
Small organic molecule
Emp. Form.:
C57H72N8O8
Mol. Mass.:
997.2304
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)N1CC[C@@]2(CCN(C2)C(=O)C#C[C@@H]2COCCN2C)C1=O)-c1cccnc1[C@H](C)OC |r,wU:21.39,38.46,69.78,54.59,wD:13.18,45.67,(-9.66,-7.3,;-10.75,-6.21,;-10.35,-4.72,;-11.25,-3.48,;-10.35,-2.23,;-10.35,-.69,;-9.02,.08,;-7.48,.08,;-8.25,-1.25,;-8.87,1.91,;-7.54,2.68,;-7.54,4.22,;-8.87,4.99,;-6.2,4.99,;-6.2,6.53,;-4.87,7.3,;-3.54,6.53,;-3.54,4.99,;-4.87,4.22,;-2.2,4.22,;-.87,4.99,;-2.2,2.68,;-3.54,1.91,;-3.54,.37,;-2.2,-.4,;-2.2,-1.94,;-3.54,-2.71,;-4.87,-1.94,;-4.87,-.4,;-6.22,-2.71,;-6.22,-4.25,;-7.55,-5.02,;-8.88,-4.25,;-8.88,-2.71,;-7.55,-1.94,;-.87,1.91,;.46,2.68,;.46,4.22,;1.8,1.91,;1.8,.37,;.46,-.4,;3.13,-.4,;3.13,2.68,;3.13,4.22,;4.6,4.69,;5.5,3.45,;6.41,2.2,;7.87,2.68,;7.87,4.22,;6.41,4.69,;9.21,4.99,;9.21,6.53,;10.54,4.22,;11.87,3.45,;13.21,2.68,;13.21,1.14,;14.54,.37,;15.87,1.14,;15.87,2.68,;14.54,3.45,;14.54,4.99,;4.6,2.2,;5.37,.87,;-12.79,-3.48,;-13.56,-4.81,;-15.1,-4.81,;-15.87,-3.48,;-15.1,-2.14,;-13.56,-2.14,;-12.79,-.81,;-11.25,-.81,;-13.56,.52,;-12.79,1.86,)|
Structure:
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