GL1X · GenesisL1 explorer

Ligand · 7OE

7OE · 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4S, 7AS)-tetrahydro-1H-pyrrolizin-7A(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine

7OE, 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4S, 7AS)-tetrahydro-1H-pyrrolizin-7A(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine (C33 H32 F2 N6 O, 566.7 g/mol), in the MolNFT structures on…

Component
7OE
Formula
C33 H32 F2 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

7OE in 2 structures; the first of them:

  • 7RT5 · Crystal structure of KRAS G12D with compound 36… · 7OE A202 · binds VAL9, GLY10, ALA11, ASP12, THR58, ALA59, GLY60, GLN61 and 15 more
  • 7RT5 · Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8… · 7OE A202 · binds VAL9, GLY10, ALA11, ASP12, THR58, ALA59, GLY60, GLN61 and 15 more

Residues it binds most

ASP 2, ALA 2, ARG 2, GLN 2, GLU 2, GLY 2, TYR 2, VAL 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

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

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