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Ligand · S14

S14 · 6-(4-{(1S,2S)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1H-[1,2,4]triazolo[1,5-a]pyridin-4-ium

S14, 6-(4-{(1S,2S)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (C22 H25 F N6 O2, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
S14
Formula
C22 H25 F N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

S14 in 2 structures; the first of them:

  • 2FJP · Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor · S14 A1001 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, ARG358, TYR547 and 9 more
  • 2FJP · Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor · S14 A1001 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, ARG358, TYR547 and 9 more

Residues it binds most

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

Found with

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

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