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Ligand · X23

X23 · (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide

X23, (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide (C28 H37 N5 O3, 491.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
X23
Formula
C28 H37 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

X23 in 2 structures; the first of them:

  • 3CM2 · Crystal Structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac010 · X23 D600 · binds LEU292, LYS297, VAL298, GLY306, LEU307, THR308, ASP309, TRP310 and 10 more
  • 3CM2 · Crystal structure of xiap BIR3 domain in complex with a smac-mimetic compound, SMAC010 · X23 D600 · binds LEU292, LYS297, VAL298, GLY306, LEU307, THR308, ASP309, TRP310 and 10 more

Residues it binds most

LEU 20, LYS 20, TRP 20, GLU 20, THR 20, VAL 20, ASP 20, GLN 20, GLY 20, TYR 20 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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