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Ligand · IXE

IXE · N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

IXE, N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine (C14 H11 F3 N6, 320.3 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…

Component
IXE
Formula
C14 H11 F3 N6
Class
ligand
Structures
4
PDB entries
2

Binding sites

IXE in 4 structures; the first of them:

  • 4IXE · pcDHFR-NADPH-270 · IXE D301 · binds ILE10, VAL11, ALA12, LEU25, GLU32, PHE36, THR61, SER64 and 7 more
  • 4QJC · Human dihydrofolate reductase ternary complex with NADPH and inhibitor 26… · IXE A202 · binds ILE7, VAL8, ALA9, GLY20, ASP21, LEU22, GLU30, PHE31 and 7 more
  • 4IXE · Pcdhfr-NADPH-270 · IXE D301 · binds ILE10, VAL11, ALA12, LEU25, GLU32, PHE36, THR61, SER64 and 7 more
  • 4QJC · Human dihydrofolate reductase ternary complex with NADPH and inhibitor 26… · IXE A202 · binds ILE7, VAL8, ALA9, GLY20, ASP21, LEU22, GLU30, PHE31 and 7 more

Residues it binds most

ILE 4, PHE 4, THR 4, LEU 4, VAL 4, ALA 4, GLU 4, PRO 4, SER 4, TYR 4 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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