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Ligand · W8V

W8V · (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone

W8V, (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone (C26 H24 N4 O3, 440.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
W8V
Formula
C26 H24 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

W8V in 2 structures; the first of them:

  • 7K9V · Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452 · W8V A301 · binds LEU34, ASN37, SER38, ASP40, ALA41, LYS44, ASP79, ILE82 and 14 more
  • 7K9V · Cryptococcus neoformans HSP90 nucleotide binding domain in complex with BUCMD00452 · W8V A301 · binds LEU34, ASN37, SER38, ASP40, ALA41, LYS44, ASP79, ILE82 and 8 more

Residues it binds most

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

Found with

  • BEN · Benzamidine
  • CL · Chloride ion
  • GOL · Glycerol

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