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Ligand · H80

H80 · [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol

H80, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol (C21 H24 N2 O3 S, 384.5 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…

Component
H80
Formula
C21 H24 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

H80 in 2 structures; the first of them:

  • 7DJO · The co-crystal structure of DYRK2 with a small molecule inhibitor 17 · H80 A601 · binds ILE228, GLY229, LYS230, PHE233, VAL236, ALA249, LYS251, GLU266 and 12 more
  • 7DJO · The co-crystal structure of DYRK2 with a small molecule inhibitor 17 · H80 A601 · binds ILE228, LYS230, PHE233, VAL236, ALA249, GLU266, ILE285, PHE301 and 9 more

Residues it binds most

GLU 2, ILE 2, LEU 2, PHE 2, LYS 2, ALA 2, ASN 2, ASP 2, SER 2, VAL 2 (residue and the binding sites it lines).

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