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Ligand · 550

550 · methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate

550, methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate (C24 H24 N2 O5, 420.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
550
Formula
C24 H24 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

550 in 2 structures; the first of them:

  • 3EDZ · Crystal structure of catalytic domain of TACE with hydroxamate inhibitor · 550 B1 · binds GLY346, THR347, LEU348, GLY349, LEU350, GLU398, LEU401, VAL402 and 15 more
  • 3EDZ · Crystal structure of catalytic domain of tace with hydroxamate inhibitor · 550 B1 · binds GLY346, THR347, LEU348, GLY349, LEU350, GLU398, LEU401, VAL402 and 15 more

Residues it binds most

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

Found with

  • INN · N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide
  • ZN · Zinc ion
  • CIT · Citric acid

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