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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 2 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
2
PDB entries
2

Binding sites

9P1 in 2 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, 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 4, TYR 4, GLU 4, MET 4, PRO 4, VAL 4, PHE 3, LEU 2, HIS 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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