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Ligand · IXF

IXF · N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine

IXF, N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine (C17 H20 N6, 308.4 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…

Component
IXF
Formula
C17 H20 N6
Class
ligand
Structures
4
PDB entries
2

Binding sites

IXF in 4 structures; the first of them:

  • 4IXF · pcDHFR-269 F69N variant · IXF X302 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, THR61 and 7 more
  • 4QHV · Crystal structure of human dihydrofolate reductase as complex with pyridopyrimidine 22… · IXF A202 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, SER59 and 7 more
  • 4IXF · Pcdhfr-269 F69N variant · IXF X302 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, THR61 and 7 more
  • 4QHV · Crystal structure of human dihydrofolate reductase as complex with pyridopyrimidine 22… · IXF A202 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, SER59 and 7 more

Residues it binds most

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

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion

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