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Ligand · 7GI

7GI · Repotrectinib

7GI, Repotrectinib (C18 H18 F N5 O2, 355.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
7GI
Formula
C18 H18 F N5 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

7GI in 4 structures; the first of them:

  • 7VKN · Crystal structure of TrkA (G595R) kinase with repotrectinib · 7GI A801 · binds LEU516, GLY517, GLU518, VAL524, ALA542, LYS544, VAL573, PHE589 and 12 more
  • 7VKO · Crystal structure of TrkA kinase with repotrectinib · 7GI A801 · binds LEU516, GLY517, VAL524, ALA542, LYS544, VAL573, PHE589, GLU590 and 11 more
  • 7VKN · Crystal structure of trka (G595R) kinase with repotrectinib · 7GI A801 · binds LEU516, GLY517, GLU518, VAL524, ALA542, LYS544, VAL573, PHE589 and 12 more
  • 7VKO · Crystal structure of trka kinase with repotrectinib · 7GI A801 · binds LEU516, GLY517, VAL524, ALA542, LYS544, VAL573, PHE589, GLU590 and 11 more

Residues it binds most

ARG 4, GLY 4, ASP 4, LEU 4, VAL 4, GLU 4, ALA 4, ASN 4, CYS 4, LYS 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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