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Ligand · B6V

B6V · (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one

B6V, (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one (C21 H27 N3 O3, 369.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
B6V
Formula
C21 H27 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

B6V in 2 structures; the first of them:

  • 7XBB · Crystal structure of PDE4D catalytic domain complexed with compound 23a · B6V A603 · binds TYR159, HIS160, HIS164, HIS200, ASP201, MET273, ASP318, LEU319 and 11 more
  • 7XBB · Crystal structure of PDE4D catalytic domain complexed with compound 23A · B6V A603 · binds TYR159, HIS160, HIS164, HIS200, ASP201, MET273, ASP318, LEU319 and 11 more

Residues it binds most

MET 4, HIS 4, ASP 4, PHE 4, TYR 4, ASN 4, GLN 4, ILE 4, LEU 4, THR 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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