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Ligand · XOU

XOU · (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid

XOU, (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid (C32 H30 N2 O4 S, 538.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
XOU
Formula
C32 H30 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XOU in 2 structures; the first of them:

  • 6UVD · Crystal structure of BCL-XL bound to compound 2… · XOU A301 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, PHE105, LEU108 and 10 more
  • 6UVD · Crystal structure of BCL-xl bound to compound 2: (2R)-3… · XOU A301 · binds ALA93, GLU96, PHE97, ARG100, TYR101, ALA104, PHE105, LEU108 and 9 more

Residues it binds most

ALA 4, LEU 4, PHE 4, TYR 4, ARG 4, GLU 4, GLY 4, ASN 2, ASP 2, GLN 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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