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Ligand · D2E

D2E · 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine

D2E, 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine (C18 H18 N4 O2, 322.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
D2E
Formula
C18 H18 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

D2E in 2 structures; the first of them:

  • 3NXT · Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes… · D2E A188 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, THR56 and 7 more
  • 3NXT · Preferential selection of isomer binding from chiral mixtures: alternate binding modes… · D2E A188 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, THR56 and 7 more

Residues it binds most

ILE 2, LEU 2, PHE 2, THR 2, VAL 2, ALA 2, GLU 2, PRO 2, SER 2, TYR 2 (residue and the binding sites it lines).

Found with

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

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