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Ligand · A1D8E

A1D8E · ~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide

A1D8E, ~{N}-[(2~{S})-2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide (C20 H13 F6 N3 O2 S, 473.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
A1D8E
Formula
C20 H13 F6 N3 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1D8E in 1 structure; the first of them:

  • 8ZFK · Caenorhabditis elegans ACR-23 in betaine and monepantel bound state · A1D8E D602 · binds LEU161, ILE292, VAL295, SER296, MET299, PRO300, SER301, THR302 and 14 more

Residues it binds most

ILE 5, PRO 5, VAL 5, ALA 5, LEU 5, SER 5, THR 5, TYR 5, ASN 5, CYS 5 (residue and the binding sites it lines).

Found with

  • BET · Trimethyl glycine
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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