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Ligand · 0CP

0CP · 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one

0CP, 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one (C18 H24 N2 O3, 316.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
0CP
Formula
C18 H24 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

0CP in 2 structures; the first of them:

  • 3KKT · Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-metho… · 0CP A2 · binds TYR233, HIS234, MET347, LEU393, ASN395, TYR403, TRP406, THR407 and 9 more
  • 3KKT · Crystal structure of human PDE4B with 5-[3-[(1S,2S,4R)… · 0CP A2 · binds TYR233, HIS234, MET347, LEU393, ASN395, TYR403, TRP406, THR407 and 9 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol

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