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Ligand · AYI

AYI · (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester

AYI, (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester (C22 H32 N5 O9 P, 541.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
AYI
Formula
C22 H32 N5 O9 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

AYI in 2 structures; the first of them:

  • 3IMJ · Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained… · AYI A1 · binds ARG67, ARG86, SER88, GLU89, SER90, SER96, GLN106, HIS107 and 6 more
  • 3IMJ · Crystal structure of the GRB2 SH2 domain in complex with a cyclopropyl-constrained… · AYI A1 · binds ARG67, ARG86, SER88, GLU89, SER90, SER96, GLN106, HIS107 and 6 more

Residues it binds most

SER 4, ARG 4, LEU 4, GLN 4, GLU 4, HIS 4, LYS 4, PHE 4, TRP 4 (residue and the binding sites it lines).

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