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Ligand · ROF

ROF · 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide

ROF, 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide (C17 H14 Cl2 F2 N2 O3, 403.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component
ROF
Formula
C17 H14 Cl2 F2 N2 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

ROF in 6 structures; the first of them:

  • 1XMU · Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Roflumilast · ROF A101 · binds TYR233, HIS234, THR345, MET347, ASP392, LEU393, ASN395, PRO396 and 10 more
  • 1XOQ · Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast · ROF A502 · binds TYR159, HIS160, THR271, MET273, ASP318, LEU319, ASN321, PRO322 and 10 more
  • 3G4L · Crystal structure of human phosphodiesterase 4d with roflumilast · ROF A901 · binds TYR325, HIS326, THR437, MET439, ASP484, LEU485, ASN487, PRO488 and 10 more
  • 1XMU · Catalytic domain of human phosphodiesterase 4B in complex with roflumilast · ROF A101 · binds TYR233, HIS234, THR345, MET347, ASP392, LEU393, ASN395, PRO396 and 10 more
  • 1XOQ · Catalytic domain of human phosphodiesterase 4D in complex with roflumilast · ROF A502 · binds TYR159, HIS160, THR271, MET273, ASP318, LEU319, ASN321, PRO322 and 10 more
  • 3G4L · Crystal structure of human phosphodiesterase 4D with roflumilast · ROF A901 · binds TYR325, HIS326, THR437, MET439, ASP484, LEU485, ASN487, PRO488 and 10 more

Residues it binds most

MET 16, PHE 16, THR 16, TYR 16, ASN 16, ASP 16, GLN 16, HIS 16, ILE 16, LEU 16 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion

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