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Ligand · 2XF

2XF · tert-butyl {(3S,5R)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate

2XF, tert-butyl {(3S,5R)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate (C21 H29 Cl2 N3 O3, 442.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
2XF
Formula
C21 H29 Cl2 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2XF in 2 structures; the first of them:

  • 4PYV · Crystal structure of renin in complex with compound4 · 2XF A1001 · binds THR12, GLN13, VAL30, ASP32, GLY34, SER35, ARG74, TYR75 and 12 more
  • 4PYV · Crystal structure of renin in complex with COMPOUND4 · 2XF A1001 · binds THR12, GLN13, VAL30, ASP32, GLY34, SER35, ARG74, TYR75 and 12 more

Residues it binds most

SER 4, ALA 4, ASP 4, GLY 4, PHE 4, VAL 4, LEU 4, THR 4, ARG 4, GLN 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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