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Ligand · H9F

H9F · 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl) amino]ethanol

H9F, 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl) amino]ethanol (C24 H40 N8 O4, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every…

Component
H9F
Formula
C24 H40 N8 O4
Class
ligand
Structures
4
PDB entries
3

Binding sites

H9F in 4 structures; the first of them:

  • 7DMC · Dipyridamole binds to the N-terminal domain of human Hsp90A · H9F A301 · binds LEU48, ASN51, SER52, ASP54, ALA55, ASP93, ILE96, MET98 and 12 more
  • 8I4A · Cryo-EM structure of dipyridamole-bound ABCC4 · H9F A1401 · binds HIS152, PHE211, PHE324, LEU363, LEU367, PHE368, SER371, ARG375 and 7 more
  • 8T6U · Cryo-EM structure of human Anion Exchanger 1 bound to Dipyridamole · H9F A2204 · binds PRO419, THR422, PHE423, LEU426, LYS430, SER465, GLY466, PRO467 and 14 more
  • 7DMC · Dipyridamole binds to the N-terminal domain of human HSP90A · H9F A301 · binds LEU48, ASN51, SER52, ALA55, ASP93, MET98, LEU103, LEU107 and 6 more

Residues it binds most

LEU 5, PHE 5, SER 5, THR 5, ILE 3, VAL 4, GLY 5, LYS 2, ALA 2, ARG 3 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • CLR · Cholesterol
  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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