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Ligand · 67V

67V · methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate

67V, methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate (C17 H16 N2 O2, 280.3 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…

Component
67V
Formula
C17 H16 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

67V in 2 structures; the first of them:

  • 7VBV · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 · 67V A506 · binds LEU252, ASN255, ALA256, ALA259, MET288, ASP290, GLY292, GLY294 and 7 more
  • 7VBV · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 · 67V A506 · binds LEU252, ASN255, ALA256, ALA259, MET288, ASP290, GLY292, GLY294 and 7 more

Residues it binds most

LEU 4, ALA 4, ASP 4, GLY 4, ASN 4, MET 4, THR 4, VAL 4, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

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

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