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Ligand · HD1

HD1 · 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide

HD1, 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide (C24 H36 N4 O2 S, 444.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
HD1
Formula
C24 H36 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

HD1 in 2 structures; the first of them:

  • 4BB6 · Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency… · HD1 A1293 · binds ILE121, THR124, LEU126, SER170, LEU171, ALA172, TYR177, PRO178 and 11 more
  • 4BB6 · Free-wilson and structural approaches to co-optimising human and rodent isoform potency… · HD1 A1293 · binds ILE121, THR124, LEU126, SER170, LEU171, ALA172, TYR177, PRO178 and 11 more

Residues it binds most

LEU 4, ALA 4, TYR 4, THR 4, VAL 4, GLY 4, ILE 4, PRO 4, SER 4, MET 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • CL · Chloride ion

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