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Ligand · 91U

91U · N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide

91U, N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide (C23 H32 Cl N3 O3, 434.0 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…

Component
91U
Formula
C23 H32 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

91U in 2 structures; the first of them:

  • 3F68 · Thrombin Inhibition · 91U H901 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more
  • 3F68 · Thrombin inhibition · 91U H901 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more

Residues it binds most

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

Found with

  • NA · Sodium ion

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