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Ligand · S90

S90 · N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1-cyclopropyl-N2-methylethane-1,2-diamine

S90, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1-cyclopropyl-N2-methylethane-1,2-diamine (C20 H27 F N4, 342.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
S90
Formula
C20 H27 F N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S90 in 2 structures; the first of them:

  • 4UGL · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · S90 A904 · binds HIS128, GLN129, PRO216, ILE218, ASP220, MET221, PHE235, ASN236 and 7 more
  • 4UGL · Structure of bacillus subtilis nitric oxide synthase in complex with… · S90 A904 · binds HIS128, GLN129, PRO216, ILE218, ASP220, MET221, PHE235, ASN236 and 7 more

Residues it binds most

MET 2, TRP 2, TYR 2, ASN 2, ASP 2, GLN 2, GLU 2, GLY 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion
  • GOL · Glycerol

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