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Ligand · 7PP

7PP · 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol

7PP, 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol (C21 H24 Cl N5 O2, 413.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
7PP
Formula
C21 H24 Cl N5 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

7PP in 4 structures; the first of them:

  • 7S9H · Cryogenic Human Hsp90a-NTD bound to EC144 · 7PP A301 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 8 more
  • 7S9I · Room-temperature Human Hsp90a-NTD bound to EC144 · 7PP A301 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 8 more
  • 7S9H · Cryogenic human HSP90A-ntd bound to EC144 · 7PP A301 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 8 more
  • 7S9I · Room-temperature human HSP90A-ntd bound to EC144 · 7PP A301 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 8 more

Residues it binds most

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

Found with

  • MG · Magnesium ion

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