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Ligand · MXD

MXD · 6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide

MXD, 6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide (C9 H15 N5 O, 209.2 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 residues it binds most and…

Component
MXD
Formula
C9 H15 N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

MXD in 4 structures; the first of them:

  • 3B6H · Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil · MXD A551 · binds TYR99, ALA100, LEU103, ALA283, THR284, ASN287
  • 4K7A · Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil · MXD A1002 · binds GLU793, TRP796, LEU797, TYR857, GLN858, LYS861
  • 3B6H · Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil · MXD A551 · binds TYR99, ALA100, LEU103, ALA283, THR284, ASN287
  • 4K7A · Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil · MXD A1002 · binds GLU793, TRP796, LEU797, TYR857, GLN858, LYS861

Residues it binds most

ALA 4, LEU 6, TYR 6, ASN 4, THR 4, GLN 2, GLU 2, LYS 2, TRP 2 (residue and the binding sites it lines).

Found with

  • DHT · 5-alpha-dihydrotestosterone
  • HEM · Protoporphyrin IX containing Fe
  • BOG · octyl beta-D-glucopyranoside

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