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Ligand · LA1

LA1 · (2R)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthyl)propanamide

LA1, (2R)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthyl)propanamide (C33 H36 N4 O3, 536.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
LA1
Formula
C33 H36 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

LA1 in 2 structures; the first of them:

  • 1XUO · X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A… · LA1 A401 · binds VAL130, LEU132, PHE153, TYR166, THR231, VAL233, ILE235, ILE255 and 13 more
  • 1XUO · X-ray structure of lfa-1 I-domain bound to a 1,4-diazepane- 2,5-dione inhibitor at 1.8A… · LA1 A401 · binds VAL130, LEU132, PHE153, TYR166, THR231, VAL233, ILE235, ILE255 and 13 more

Residues it binds most

LEU 2, ILE 2, PHE 2, VAL 2, LYS 2, TYR 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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