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Ligand · 997

997 · 1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide

997, 1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide (C31 H42 N4 O4, 534.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
997
Formula
C31 H42 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

997 in 2 structures; the first of them:

  • 1TFT · NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3… · 997 A998 · binds LYS297, VAL298, LYS299, GLY306, LEU307, THR308, ASP309, TRP310 and 5 more
  • 1TFT · NMR structure of an antagonists of the xiap-caspase-9 interaction complexed to the BIR3… · 997 A998 · binds LYS297, VAL298, LYS299, GLY306, LEU307, THR308, ASP309, TRP310 and 5 more

Residues it binds most

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

Found with

  • ZN · Zinc ion

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