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Ligand · S84

S84 · N1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine

S84, N1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine (C19 H25 F3 N4, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
S84
Formula
C19 H25 F3 N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S84 in 2 structures; the first of them:

  • 4UH2 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · S84 A800 · binds SER477, GLN478, ARG481, PRO565, VAL567, ASN569, MET570, PHE584 and 10 more
  • 4UH2 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · S84 A800 · binds SER477, GLN478, ARG481, PRO565, VAL567, ASN569, MET570, PHE584 and 10 more

Residues it binds most

ARG 4, MET 4, SER 4, TYR 4, ASN 4, ASP 4, GLN 4, GLU 4, GLY 4, PHE 4 (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

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