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Ligand · D2D

D2D · 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine

D2D, 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine (C19 H22 N4 O2, 338.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
D2D
Formula
C19 H22 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

D2D in 4 structures; the first of them:

  • 3NXR · Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes… · D2D A192 · binds ILE7, VAL8, ALA9, ASP21, LEU22, GLU30, PHE31, TYR33 and 8 more
  • 3NXX · Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes… · D2D A188 · binds ILE7, VAL8, ALA9, GLY20, ASP21, LEU22, GLU30, PHE31 and 8 more
  • 3NXR · Perferential selection of isomer binding from chiral mixtures: alternate binding modes… · D2D A192 · binds ILE7, VAL8, ALA9, ASP21, LEU22, GLU30, PHE31, TYR33 and 8 more
  • 3NXX · Preferential selection of isomer binding from chiral mixtures: alternate binding modes… · D2D A188 · binds ILE7, VAL8, ALA9, GLY20, ASP21, LEU22, GLU30, PHE31 and 8 more

Residues it binds most

ILE 6, LEU 6, PHE 6, TYR 6, VAL 6, THR 6, ALA 6, ASP 6, GLU 6, SER 6 (residue and the binding sites it lines).

Found with

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

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