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Ligand · S9W

S9W · ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide

S9W, ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide (C25 H30 Br N3 O3, 500.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
S9W
Formula
C25 H30 Br N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

S9W in 2 structures; the first of them:

  • 7AYR · Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115 · S9W A903 · binds PHE667, LYS685, TYR686, ARG688, LEU689, TRP754, SER755, ALA779 and 7 more
  • 7AYR · Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, B115 · S9W A903 · binds LYS685, ARG688, LEU689, TRP754, SER755, ALA779, ASP833, ASN835 and 3 more

Residues it binds most

LEU 4, TYR 4, ALA 4, ARG 4, ASN 4, ASP 4, LYS 4, SER 4, TRP 4, VAL 4 (residue and the binding sites it lines).

Found with

  • TMO · trimethylamine oxide
  • PO4 · Phosphate ion

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