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Ligand · FR1

FR1 · 2-[4-[[(S)-1-[[(S)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid

FR1, 2-[4-[[(S)-1-[[(S)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid (C26 H33 F3 N4 O7, 570.6 g/mol), in the MolNFT structures on GenesisL1…

Component
FR1
Formula
C26 H33 F3 N4 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

FR1 in 2 structures; the first of them:

  • 1MMJ · Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706 · FR1 N241 · binds THR29, CYS30, HIS45, ASP87, VAL88, ALA89, TRP164, SER166 and 12 more
  • 1MMJ · Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706 · FR1 N241 · binds THR29, CYS30, HIS45, ASP87, VAL88, ALA89, TRP164, SER166 and 12 more

Residues it binds most

SER 2, THR 2, ASP 2, CYS 2, VAL 2, ALA 2, ARG 2, GLN 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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