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Ligand · AAY

AAY · 8-[2-((2S)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8A-hexahydronaphthalen-1-yl 2-methylbutanoate

AAY, 8-[2-((2S)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8A-hexahydronaphthalen-1-yl 2-methylbutanoate (C37 H49 N O6, 603.8 g/mol), in the MolNFT structures on…

Component
AAY
Formula
C37 H49 N O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

AAY in 2 structures; the first of them:

  • 1XDD · X-ray structure of LFA-1 I-domain in complex with LFA703 at 2.2A resolution · AAY A401 · binds GLY128, VAL130, LEU132, PHE153, VAL157, LEU161, TYR166, THR231 and 17 more
  • 1XDD · X-ray structure of lfa-1 I-domain in complex with LFA703 at 2.2A resolution · AAY A401 · binds GLY128, VAL130, LEU132, PHE153, VAL157, LEU161, TYR166, THR231 and 17 more

Residues it binds most

LEU 4, LYS 4, ILE 4, TYR 4, VAL 4, GLU 4, PHE 4, GLY 4, THR 4, ASN 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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