GL1X · GenesisL1 explorer

Ligand · I20

I20 · (2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid

I20, (2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid (C25 H36 N5 O7 P, 549.6 g/mol), in the MolNFT structures on GenesisL1…

Component
I20
Formula
C25 H36 N5 O7 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

I20 in 2 structures; the first of them:

  • 2QPJ · Human NEP complexed with a bifunctional NEP/DPP IV inhibitor · I20 A755 · binds PHE106, ARG110, ASN542, ALA543, PHE544, TYR545, SER546, SER547 and 13 more
  • 2QPJ · Human nep complexed with a bifunctional NEP/DPP IV inhibitor · I20 A755 · binds PHE106, ARG110, ASN542, ALA543, PHE544, TYR545, SER546, SER547 and 13 more

Residues it binds most

HIS 2, PHE 2, ARG 2, ASN 2, GLU 2, SER 2, VAL 2, ALA 2, GLY 2, MET 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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