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Ligand · 7L8

7L8 · 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol

7L8, 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol (C29 H31 F N6 O2, 514.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
7L8
Formula
C29 H31 F N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7L8 in 2 structures; the first of them:

  • 7RT1 · Crystal Structure of KRAS G12D with compound 15… · 7L8 A203 · binds VAL9, GLY10, ALA11, ASP12, ALA59, GLY60, GLN61, GLU62 and 13 more
  • 7RT1 · Crystal structure of KRAS G12D with compound 15 (4-(4-[(1R,5S)-3,8… · 7L8 A203 · binds GLY10, ASP12, ALA59, GLY60, GLN61, GLU62, GLU63, TYR64 and 10 more

Residues it binds most

ASP 4, GLN 4, TYR 4, GLY 3, VAL 4, ARG 2, GLU 2, LEU 2, MET 4, ALA 2 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • MG · Magnesium ion

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