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Ligand · W94

W94 · [(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone

W94, [(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone (C23 H28 F3 N5 O S, 479.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
W94
Formula
C23 H28 F3 N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W94 in 2 structures; the first of them:

  • 3VJL · Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a… · W94 A1000 · binds ARG125, GLU205, GLU206, SER209, PHE357, ARG358, SER630, TYR631 and 7 more
  • 3VJL · Crystal structure of human depiptidyl peptidase IV (dpp-4) in complex with a… · W94 A1000 · binds ARG125, GLU205, GLU206, SER209, PHE357, ARG358, SER630, TYR631 and 7 more

Residues it binds most

TYR 4, ARG 4, GLU 4, SER 4, VAL 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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