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Ligand · PS4

PS4 · N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide

PS4, N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide (C23 H28 Cl N3 O4 S, 478.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
PS4
Formula
C23 H28 Cl N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

PS4 in 2 structures; the first of them:

  • 3H0C · Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed… · PS4 A1 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, SER552, GLN553 and 10 more
  • 3H0C · Crystal structure of human dipeptidyl peptidase IV (CD26) in complex with a reversed… · PS4 A1 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, SER552, GLN553 and 10 more

Residues it binds most

TYR 4, SER 4, GLU 4, VAL 4, ARG 4, ASN 4, GLN 4, HIS 4, LYS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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