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Ligand · AIA

AIA · (1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine

AIA, (1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine (C14 H23 N3 O, 249.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
AIA
Formula
C14 H23 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

AIA in 2 structures; the first of them:

  • 2GBF · rat dpp-IV with alkynyl cyanopyrrolidine #1 · AIA A768 · binds ARG123, GLU203, GLU204, PHE355, TYR548, SER631, TYR632, VAL657 and 6 more
  • 2GBF · Rat dpp-IV with alkynyl cyanopyrrolidine #1 · AIA A768 · binds ARG123, GLU203, GLU204, PHE355, TYR548, SER631, TYR632, VAL657 and 6 more

Residues it binds most

TYR 2, GLU 2, VAL 2, ARG 2, ASN 2, HIS 2, PHE 2, SER 2, TRP 2 (residue and the binding sites it lines).

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