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Ligand · 998

998 · N-methylalanyl-3-methylvalyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide

998, N-methylalanyl-3-methylvalyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide (C25 H38 N4 O3, 442.6 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…

Component
998
Formula
C25 H38 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

998 in 2 structures; the first of them:

  • 1TFQ · NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3… · 998 A998 · binds LYS297, VAL298, LYS299, GLY306, LEU307, THR308, ASP309, TRP310 and 4 more
  • 1TFQ · NMR structure of an antagonists of the xiap-caspase-9 interaction complexed to the BIR3… · 998 A998 · binds LYS297, VAL298, LYS299, GLY306, LEU307, THR308, ASP309, TRP310 and 4 more

Residues it binds most

LYS 2, TRP 2, ASP 2, GLN 2, GLU 2, GLY 2, LEU 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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