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Ligand · 94M

94M · 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl) methyl]-9H-purin-2-amine

94M, 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl) methyl]-9H-purin-2-amine (C14 H15 Cl N6 O, 318.8 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
94M
Formula
C14 H15 Cl N6 O
Class
ligand
Structures
3
PDB entries
3

Binding sites

94M in 3 structures; the first of them:

  • 4Z1G · Crystal structure of human Trap1 with BIIB-021 · 94M A601 · binds ASN119, ALA120, ALA123, ASP158, ILE161, GLY162, MET163, LEU168 and 7 more
  • 7S9F · Cryogenic human HSP90A-ntd bound to BIIB021 · 94M A301 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, LEU103 and 6 more
  • 7S9G · Room-temperature human HSP90A-ntd bound to BIIB021 · 94M A301 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, LEU103 and 6 more

Residues it binds most

LEU 3, ALA 3, GLY 3, ILE 3, ASN 3, ASP 3, MET 3, PHE 3, THR 3, TRP 3 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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