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Ligand · 6HU

6HU · (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol

6HU, (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol (C23 H30 N4 O3, 410.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
6HU
Formula
C23 H30 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

6HU in 2 structures; the first of them:

  • 5JAU · Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2… · 6HU A504 · binds TRP97, ILE98, PHE104, LEU107, PHE110, LEU111, LEU121, PHE125 and 16 more
  • 5JAU · Exploitation of a novel binding pocket in human lipoprotein-associated phospholipase A2… · 6HU A504 · binds TRP97, ILE98, PHE104, LEU107, PHE110, LEU111, LEU121, PHE125 and 16 more

Residues it binds most

LEU 2, PHE 2, ALA 2, GLY 2, HIS 2, GLN 2, ILE 2, LYS 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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