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Ligand · 05F

05F · 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine

05F, 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine (C30 H38 N6 O, 498.7 g/mol), in the MolNFT structures on GenesisL1…

Component
05F
Formula
C30 H38 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

05F in 2 structures; the first of them:

  • 7EWA · GDP-bound KRAS G12D in complex with TH-Z827 · 05F A303 · binds GLY10, ALA11, ASP12, GLY60, GLN61, GLU62, GLU63, TYR64 and 10 more
  • 7EWA · GDP-bound KRAS G12D in complex with th-Z827 · 05F A303 · binds GLY10, ALA11, ASP12, GLY60, GLN61, GLU62, GLU63, TYR64 and 10 more

Residues it binds most

ASP 4, ARG 4, GLU 4, GLY 4, TYR 4, GLN 4, VAL 4, ALA 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • GNP · Phosphoaminophosphonic acid-guanylate ester
  • MG · Magnesium ion

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