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Ligand · AAF

AAF · Methyl 4-{[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate

AAF, Methyl 4-{[({[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate (C20 H29 N5 O4, 403.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
AAF
Formula
C20 H29 N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

AAF in 2 structures; the first of them:

  • 2G63 · Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with… · AAF B800 · binds ARG125, GLU205, GLU206, TYR547, GLN553, LYS554, SER630, TYR631 and 7 more
  • 2G63 · Crystal structure of human dipeptidyl peptidase IV (dppiv) complexed with… · AAF B800 · binds ARG125, GLU205, GLU206, TYR547, GLN553, LYS554, SER630, TYR631 and 7 more

Residues it binds most

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

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