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Ligand · 1CY

1CY · 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

1CY, 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine (C11 H14 Cl N5, 251.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
1CY
Formula
C11 H14 Cl N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

1CY in 4 structures; the first of them:

  • 6HNC · Trypanosoma brucei PTR1 in complex with cycloguanil · 1CY A302 · binds ARG14, SER95, PHE97, ASP161, TYR174, LEU208, LEU209, TRP221
  • 6NNH · Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in… · 1CY A201 · binds ILE5, TRP6, ALA7, ILE20, ASP27, PHE31, THR46, LEU50 and 3 more
  • 6HNC · Trypanosoma brucei PTR1 in complex with cycloguanil · 1CY A302 · binds ARG14, SER95, PHE97, ASP161, TYR174, LEU208, LEU209, TRP221
  • 6NNH · Structure of closed state of dihydrofolate reductase from mycobacterium tuberculosis in… · 1CY A201 · binds ILE5, TRP6, ALA7, ILE20, ASP27, PHE31, THR46, LEU50 and 3 more

Residues it binds most

LEU 10, ILE 4, ASP 10, PHE 10, TRP 10, TYR 10, THR 4, ARG 6, SER 6, ALA 4 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CO · Cobalt (II) ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide

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