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Ligand · W4J

W4J · (1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol

W4J, (1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol (C16 H24 F N O2, 281.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
W4J
Formula
C16 H24 F N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

W4J in 2 structures; the first of them:

  • 7K89 · Crystal structure of bovine RPE65 in complex with 4-fluoro-emixustat and palmitate · W4J A605 · binds PHE61, PHE103, THR129, VAL134, THR147, GLU148, THR149, ASN175 and 7 more
  • 7K89 · Crystal structure of bovine RPE65 in complex with 4-fluoro-emixustat and palmitate · W4J A605 · binds PHE61, PHE103, THR129, VAL134, THR147, GLU148, THR149, ASN194 and 5 more

Residues it binds most

THR 4, TYR 4, PHE 4, ASN 4, GLU 4, HIS 4, ILE 4, VAL 4 (residue and the binding sites it lines).

Found with

  • PLM · Palmitic acid
  • FE2 · Fe (II) ion
  • NA · Sodium ion
  • PG4 · Tetraethylene glycol
  • ACE · Acetyl group

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