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Ligand · D2O

D2O · 6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

D2O, 6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (C24 H25 N5 O2, 415.5 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
D2O
Formula
C24 H25 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

D2O in 2 structures; the first of them:

  • 3NZC · Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a… · D2O X207 · binds ILE10, VAL11, ALA12, LEU25, LYS30, GLU32, ILE33, PHE36 and 7 more
  • 3NZC · Structural analysis of pneumocystis carinii and human DHFR complexes with NADPH and a… · D2O X207 · binds ILE10, VAL11, ALA12, LEU25, LYS30, GLU32, ILE33, PHE36 and 7 more

Residues it binds most

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

Found with

  • PO4 · Phosphate ion
  • GOL · Glycerol

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