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Ligand · OAG

OAG · 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine

OAG, 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine (C14 H12 Cl2 N6, 335.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
OAG
Formula
C14 H12 Cl2 N6
Class
ligand
Structures
6
PDB entries
3

Binding sites

OAG in 6 structures; the first of them:

  • 3L3R · Structural, Computational and Kinetic Data for Antifolate Interactions Against… · OAG A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, SER59 and 7 more
  • 3OAF · Structural and Kinetic Data for Antifolate Interactions Against Pneumocystis jirovecii… · OAG A187 · binds ILE7, VAL8, ALA9, GLY20, ASP21, LEU22, GLU30, PHE31 and 8 more
  • 4G95 · hDHFR-OAG binary complex · OAG A201 · binds ILE7, VAL8, ALA9, GLY20, ASP21, LEU22, GLU30, PHE31 and 7 more
  • 3L3R · Structural, computational and kinetic data for antifolate interactions against… · OAG A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, SER59 and 7 more
  • 3OAF · Structural and kinetic data for antifolate interactions against pneumocystis jirovecii… · OAG A187 · binds ILE7, VAL8, ALA9, GLY20, ASP21, LEU22, GLU30, PHE31 and 8 more
  • 4G95 · Hdhfr-oag binary complex · OAG A201 · binds ILE7, VAL8, ALA9, GLY20, ASP21, LEU22, GLU30, PHE31 and 7 more

Residues it binds most

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

Found with

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

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