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Ligand · 516

516 · N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide

516, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide (C29 H36 N4 O2 S, 504.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
516
Formula
C29 H36 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

516 in 2 structures; the first of them:

  • 3GT9 · Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic · 516 A1 · binds THR116, LYS121, VAL122, ARG123, GLY130, LEU131, GLN132, SER133 and 5 more
  • 3GT9 · Structure of an ml-IAP/XIAP chimera bound to a peptidomimetic · 516 A1 · binds THR116, LYS121, VAL122, ARG123, GLY130, LEU131, GLN132, SER133 and 5 more

Residues it binds most

LYS 4, TRP 4, ARG 4, ASP 4, GLN 4, GLU 4, GLY 4, LEU 4, SER 4, THR 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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