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Ligand · J0F

J0F · 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine

J0F, 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine (C10 H12 Br N3, 254.1 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…

Component
J0F
Formula
C10 H12 Br N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

J0F in 2 structures; the first of them:

  • 7EBH · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 · J0F A506 · binds LEU252, ASN255, ALA256, ALA259, MET288, ASP290, GLY292, GLY294 and 7 more
  • 7EBH · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 · J0F A506 · binds LEU252, ASN255, ALA256, ALA259, MET288, ASP290, GLY294, VAL295 and 4 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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