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Ligand · 44U

44U · beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide

44U, beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide (C23 H29 N3 O2, 379.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
44U
Formula
C23 H29 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

44U in 2 structures; the first of them:

  • 3DA9 · Crystal structure of thrombin in complex with inhibitor · 44U B1 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ALA230 and 8 more
  • 3DA9 · Crystal structure of thrombin in complex with inhibitor · 44U B1 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ALA230 and 8 more

Residues it binds most

GLU 2, SER 2, TRP 2, ALA 2, ASN 2, CYS 2, GLY 2, HIS 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion

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