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Ligand · JSR

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

JSR, 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine (C21 H29 F N4 O, 372.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
JSR
Formula
C21 H29 F N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

JSR in 4 structures; the first of them:

  • 3NLG · Structure of endothelial nitric oxide synthase heme domain complexed with… · JSR A800 · binds VAL106, LEU107, SER248, GLN249, ARG252, PRO336, VAL338, ASN340 and 9 more
  • 3NLO · Structure of neuronal nitric oxide synthase R349A mutant heme domain in complex with… · JSR A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 9 more
  • 3NLG · Structure of endothelial nitric oxide synthase heme domain complexed with… · JSR A800 · binds VAL106, LEU107, SER248, GLN249, ARG252, PRO336, VAL338, ASN340 and 9 more
  • 3NLO · Structure of neuronal nitric oxide synthase R349A mutant heme domain in complex with… · JSR A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 9 more

Residues it binds most

TRP 8, TYR 8, ARG 8, MET 8, SER 8, VAL 8, GLN 8, GLU 8, GLY 8, PHE 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
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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