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Ligand · 8OA

8OA · (R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide

8OA, (R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide (C25 H28 N4 O4 S, 480.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
8OA
Formula
C25 H28 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8OA in 2 structures; the first of them:

  • 5UWM · Matrix metalloproteinase-13 complexed with selective inhibitor compound (R)-17a · 8OA A306 · binds GLY183, LEU184, LEU185, ALA186, LEU218, VAL219, HIS222, GLU223 and 15 more
  • 5UWM · Matrix metalloproteinase-13 complexed with selective inhibitor compound (R)-17A · 8OA A306 · binds GLY183, LEU184, LEU185, ALA186, LEU218, VAL219, HIS222, GLU223 and 15 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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