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Ligand · D2K

D2K · ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate

D2K, ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate (C22 H27 N5 O4, 425.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
D2K
Formula
C22 H27 N5 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

D2K in 4 structures; the first of them:

  • 3NZ9 · Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a… · D2K X207 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, LYS37 and 9 more
  • 3NZA · Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a… · D2K X207 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, LYS37 and 7 more
  • 3NZ9 · Structural analysis of pneumocystis carinii and human DHFR complexes with NADPH and a… · D2K X207 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, LYS37 and 9 more
  • 3NZA · Structural analysis of pneumocystis carinii and human DHFR complexes with NADPH and a… · D2K X207 · binds ILE10, VAL11, ALA12, LEU25, GLU32, ILE33, PHE36, LYS37 and 7 more

Residues it binds most

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

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CL · Chloride ion

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