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Ligand · 6I4

6I4 · 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole

6I4, 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole (C15 H14 N2, 222.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
6I4
Formula
C15 H14 N2
Class
ligand
Structures
2
PDB entries
1

Binding sites

6I4 in 2 structures; the first of them:

  • 7VBU · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 · 6I4 A507 · binds LEU252, ASN255, ALA256, ALA259, MET288, ASP290, GLY292, GLY294 and 7 more
  • 7VBU · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 · 6I4 A507 · binds LEU252, ASN255, ALA256, ALA259, MET288, ASP290, GLY292, GLY294 and 6 more

Residues it binds most

LEU 2, ALA 2, ASP 2, GLY 2, ASN 2, MET 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide

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