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Ligand · 8CX

8CX · 6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

8CX, 6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine (C21 H28 F2 N4 O, 390.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
8CX
Formula
C21 H28 F2 N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

8CX in 4 structures; the first of them:

  • 3PNG · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 8CX A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 6 more
  • 3PNH · Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in complex with… · 8CX A800 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 6 more
  • 3PNG · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 8CX A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 6 more
  • 3PNH · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 8CX A800 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 6 more

Residues it binds most

TRP 8, VAL 8, TYR 8, ARG 8, GLN 8, GLU 8, GLY 8, LEU 8, PHE 8, PRO 8 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • CAD · Cacodylic acid
  • GOL · Glycerol

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