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Ligand · 1AD

1AD · (1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine

1AD, (1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine (C15 H25 N3 O, 263.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1AD
Formula
C15 H25 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1AD in 2 structures; the first of them:

  • 2GBG · rat DPP-IV with alkynyl cyanopyrrolidine #2 · 1AD A768 · binds ARG123, GLU203, GLU204, PHE355, TYR548, GLY550, SER631, TYR632 and 7 more
  • 2GBG · Rat dpp-IV with alkynyl cyanopyrrolidine #2 · 1AD A768 · binds ARG123, GLU203, GLU204, PHE355, TYR548, GLY550, SER631, TYR632 and 7 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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