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Ligand · XUH

XUH · (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol

XUH, (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol (C20 H24 N2 O, 308.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
XUH
Formula
C20 H24 N2 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

XUH in 2 structures; the first of them:

  • 8HO4 · Falcilysin in complex with MMV000848 · XUH A1201 · binds TYR413, LEU417, ASN420, LEU449, ASP451, ILE510, ILE513, LEU514 and 5 more
  • 8W7H · Purine Nucleoside Phosphorylase in complex with MMV000848 · XUH A301 · binds VAL66, SER91, CYS92, GLY93, SER157, MET159, TYR160, VAL181 and 6 more

Residues it binds most

ASP 2, ILE 1, LEU 1, CYS 1, GLU 2, GLY 1, MET 1, SER 1, TYR 2, VAL 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • NA · Sodium ion
  • ZN · Zinc ion
  • PO4 · Phosphate ion

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