Reaction Details
Report a problem with these data
Report a problem with these dataTarget
GTPase KRas [G12D]
Ligand
BDBM617000
Substrate
n/a
Meas. Tech.
KRas G12D Surface Plasmon Resonance (SPR) Binding Assay
Kd
>1000000±n/a nM
Citation
Wang, X; Burns, AC; Christensen, JG; Ketcham, JM; Lawson, JD; Marx, MA; Smith, CR; Allen, S; Blake, JF; Chicarelli, MJ; Dahlke, JR; Dai, D; Fell, JB; Fischer, JP; Mejia, MJ; Newhouse, B; Nguyen, P; O''Leary, JM; Pajk, S; Rodriguez, ME; Savechenkov, P; Tang, TP; Vigers, GP; Zhao, Q; Kahn, DR; Gaudino, J; Hilton, MC KRAS G12D INHIBITORS US Patent US20230279025 Publication Date 9/7/2023 More Info.:
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:
BDBM617000
Synonyms:
US20230279025, Example 60
Type:
Small organic molecule
Emp. Form.:
C31H33ClFN6O2
Mol. Mass.:
576.084
SMILES:
O[N+]12CCCC1(COc1nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n1)-c1cccc3cccc(Cl)c13)CCC2 |(7.96,-3.22,;6.62,-2.45,;6.15,-3.91,;4.61,-3.91,;4.13,-2.45,;5.38,-1.54,;4.04,-.77,;2.71,-1.54,;1.38,-.77,;1.38,.77,;.04,1.54,;.04,3.08,;-1.29,3.85,;-1.29,5.39,;-.52,4.06,;.61,4.06,;1.38,5.39,;1.38,3.85,;.04,6.16,;-1.29,.77,;-2.62,1.54,;-3.96,.77,;-3.96,-.77,;-2.62,-1.54,;-2.62,-3.08,;-1.29,-.77,;.04,-1.54,;-5.29,-1.54,;-6.62,-.77,;-7.96,-1.54,;-7.96,-3.08,;-6.62,-3.85,;-6.62,-5.39,;-5.29,-6.16,;-3.96,-5.39,;-3.96,-3.85,;-2.62,-4.62,;-5.29,-3.08,;5.85,-.08,;7.39,-.08,;7.87,-1.54,)|
Structure:
