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Ligand · PU9

PU9 · 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine

PU9, 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine (C20 H22 Cl N5 O3, 415.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
PU9
Formula
C20 H22 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

PU9 in 2 structures; the first of them:

  • 1UYE · Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylam… · PU9 A1224 · binds ASN51, SER52, ALA55, ASP93, GLY97, MET98, LEU103, LEU107 and 8 more
  • 1UYE · Human HSP90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4… · PU9 A1224 · binds ASN51, SER52, ALA55, ASP93, GLY97, MET98, LEU103, LEU107 and 8 more

Residues it binds most

ALA 2, GLY 2, LEU 2, VAL 2, ASN 2, ASP 2, MET 2, PHE 2, SER 2, THR 2 (residue and the binding sites it lines).

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