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Ligand · I41

I41 · 2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid

I41, 2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid (C18 H22 N4 O5, 374.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
I41
Formula
C18 H22 N4 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

I41 in 4 structures; the first of them:

  • 2YPU · human insulin degrading enzyme E111Q in complex with inhibitor compound 41367 · I41 A1999 · binds HIS332, GLY335, HIS336, GLY339, GLU341, LEU359, VAL360, GLY361 and 4 more
  • 4DTT · Crystal structure of human insulin degrading enzyme (ide) in complex with compund 41367 · I41 A1102 · binds HIS108, GLU111, HIS112, SER138, ASN139, ALA140, PHE141, TYR150 and 4 more
  • 2YPU · Human insulin degrading enzyme E111Q in complex with inhibitor compound 41367 · I41 A1999 · binds HIS332, GLY335, HIS336, GLY339, GLU341, LEU359, VAL360, GLY361 and 4 more
  • 4DTT · Crystal structure of human insulin degrading enzyme (ide) in complex with compund 41367 · I41 A1102 · binds HIS108, GLU111, HIS112, SER138, ASN139, ALA140, PHE141, TYR150 and 4 more

Residues it binds most

GLY 8, HIS 12, GLU 12, TYR 12, LEU 10, VAL 10, GLN 8, ILE 8, PHE 4, ALA 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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