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Ligand · 642

642 · (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid

642, (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid (C29 H24 N2 O4, 464.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
642
Formula
C29 H24 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

642 in 2 structures; the first of them:

  • 3EWJ · Crystal structure of catalytic domain of TACE with carboxylate inhibitor · 642 B1 · binds GLY346, THR347, LEU348, GLY349, LEU350, GLU398, LEU401, VAL402 and 15 more
  • 3EWJ · Crystal structure of catalytic domain of tace with carboxylate inhibitor · 642 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

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