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Ligand · WHA

WHA · 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide

WHA, 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide (C19 H18 Cl N5 O2 S, 415.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
WHA
Formula
C19 H18 Cl N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

WHA in 2 structures; the first of them:

  • 3WHA · Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor · WHA A302 · binds ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96, GLY97 and 10 more
  • 3WHA · HSP90 alpha N-terminal domain in complex with a tricyclic inhibitor · WHA A302 · binds ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96, GLY97 and 10 more

Residues it binds most

VAL 4, ASN 4, ASP 4, GLY 4, ALA 4, ILE 4, LEU 4, LYS 4, MET 4, PHE 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • GOL · Glycerol

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