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Ligand · 5H4

5H4 · N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide

5H4, N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide (C22 H24 F N3 S, 381.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within…

Component
5H4
Formula
C22 H24 F N3 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

5H4 in 6 structures; the first of them:

  • 4KCO · Structure of neuronal nitric oxide synthase heme domain in complex with… · 5H4 A803 · binds MET336, GLN478, ARG481, PRO565, ALA566, VAL567, PHE584, SER585 and 8 more
  • 4KCS · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 5H4 A503 · binds VAL106, LEU107, GLN249, PRO336, ALA337, VAL338, PHE355, SER356 and 8 more
  • 4UGX · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · 5H4 A803 · binds HIS128, GLN129, ARG132, PRO216, ILE218, ASP220, PHE235, ASN236 and 8 more
  • 4KCO · Structure of neuronal nitric oxide synthase heme domain in complex with… · 5H4 A803 · binds MET336, GLN478, ARG481, PRO565, ALA566, VAL567, PHE584, SER585 and 8 more
  • 4KCS · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 5H4 A503 · binds VAL106, LEU107, GLN249, PRO336, ALA337, VAL338, PHE355, SER356 and 8 more
  • 4UGX · Structure of bacillus subtilis nitric oxide synthase in complex with… · 5H4 A803 · binds HIS128, GLN129, ARG132, PRO216, ILE218, ASP220, PHE235, ASN236 and 8 more

Residues it binds most

TRP 10, TYR 10, MET 8, VAL 8, GLN 10, GLU 10, GLY 10, PHE 10, PRO 10, ALA 8 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • GOL · Glycerol
  • BR · Bromide ion
  • CL · Chloride ion
  • ACT · Acetate ion

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