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Ligand · 9P1

9P1 · 7-[({[4-(dimethylamino)phenyl]methyl}amino) methyl]quinolin-2-amine

9P1, 7-[({[4-(dimethylamino)phenyl]methyl}amino) methyl]quinolin-2-amine (C19 H22 N4, 306.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
9P1
Formula
C19 H22 N4
Class
ligand
Structures
4
PDB entries
2

Binding sites

9P1 in 4 structures; the first of them:

  • 5VUK · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 9P1 A803 · binds MET336, LEU337, PRO565, VAL567, PHE584, TRP587, TYR588, MET589 and 4 more
  • 5VUX · Structure of human neuronal nitric oxide synthase heme domain in complex with… · 9P1 A803 · binds MET341, HIS342, GLN483, PRO570, VAL572, PHE589, TRP592, TYR593 and 5 more
  • 5VUK · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · 9P1 A803 · binds MET336, LEU337, PRO565, VAL567, PHE584, TRP587, TYR588, GLU592 and 2 more
  • 5VUX · Structure of human neuronal nitric oxide synthase heme domain in complex with… · 9P1 A803 · binds MET341, PRO570, VAL572, TRP592, TYR593, GLU597, TRP311

Residues it binds most

TRP 8, TYR 8, MET 8, GLU 8, PRO 8, VAL 8, PHE 7, LEU 4, HIS 3, GLN 1 (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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