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Ligand · 317

317 · (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine

317, (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine (C21 H25 Cl F N3 O3 S, 454.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
317
Formula
C21 H25 Cl F N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

317 in 2 structures; the first of them:

  • 3C45 · Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor · 317 A805 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, PRO550, CYS551 and 12 more
  • 3C45 · Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor · 317 A805 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, PRO550, CYS551 and 12 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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