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Ligand · Q1T

Q1T · 3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile

Q1T, 3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile (C19 H25 N5, 323.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues…

Component
Q1T
Formula
C19 H25 N5
Class
ligand
Structures
8
PDB entries
4

Binding sites

Q1T in 8 structures; the first of them:

  • 4UGJ · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · Q1T A904 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 8 more
  • 4UH4 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · Q1T A800 · binds SER477, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 8 more
  • 4UH6 · Structure of human nNOS R354A G357D mutant heme domain in complex with… · Q1T A800 · binds SER482, GLN483, ARG486, PRO570, VAL572, PHE589, SER590, GLY591 and 8 more
  • 4UHA · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · Q1T A800 · binds SER248, GLN249, PRO336, VAL338, ASN340, PHE355, SER356, GLY357 and 8 more
  • 4UGJ · Structure of bacillus subtilis nitric oxide synthase in complex with… · Q1T A904 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 8 more
  • 4UH4 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · Q1T A800 · binds SER477, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 8 more
  • 4UH6 · Structure of human nnos R354A G357D mutant heme domain in complex with… · Q1T A800 · binds SER482, GLN483, ARG486, PRO570, VAL572, PHE589, SER590, GLY591 and 8 more
  • 4UHA · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · Q1T A800 · binds SER248, GLN249, PRO336, VAL338, ASN340, PHE355, SER356, GLY357 and 8 more

Residues it binds most

ARG 14, TRP 14, SER 12, TYR 14, GLU 14, GLY 14, MET 14, PHE 14, PRO 14, ASN 6 (residue and the binding sites it lines).

Found with

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

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