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Ligand · W2M

W2M · (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one

W2M, (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one (C12 H14 N2 O, 202.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
W2M
Formula
C12 H14 N2 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

W2M in 3 structures; the first of them:

  • 5SC7 · CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex… · W2M A201 · binds ASN29, VAL30, VAL153, ASN154, ARG155
  • 5S3V · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · W2M B601 · binds PHE6, SER7, GLY8, TYR9, LYS11, TYR17
  • 5SC7 · CD44 pandda analysis group deposition -- the hyaluronan-binding domain of CD44 in complex… · W2M A201 · binds ASN29, VAL30, VAL153, ASN154, ARG155

Residues it binds most

ASN 2, VAL 2, ARG 2, TYR 1, GLY 1, LYS 1, PHE 1, SER 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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