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Ligand · HW9

HW9 · 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine

HW9, 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine (C22 H32 N4 O, 368.5 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its…

Component
HW9
Formula
C22 H32 N4 O
Class
ligand
Structures
10
PDB entries
5

Binding sites

HW9 in 10 structures; the first of them:

  • 3UFV · Structure of rat nitric oxide synthase heme domain in complex with… · HW9 A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 6 more
  • 4CWW · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · HW9 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355 and 7 more
  • 4CWZ · Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex… · HW9 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355 and 7 more
  • 4CX1 · Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex… · HW9 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355 and 7 more
  • 4CX4 · Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex… · HW9 A800 · binds VAL336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 7 more
  • 3UFV · Structure of rat nitric oxide synthase heme domain in complex with 4… · HW9 A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 6 more
  • 4CWW · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · HW9 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355 and 7 more
  • 4CWZ · Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex… · HW9 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355 and 7 more
  • 4CX1 · Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex… · HW9 A800 · binds VAL106, LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355 and 7 more
  • 4CX4 · Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex… · HW9 A800 · binds VAL336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 7 more

Residues it binds most

TRP 20, VAL 20, TYR 20, GLN 20, GLU 20, GLY 20, LEU 20, PHE 20, PRO 20, SER 20 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • H2B · 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6H-pteridin-4-one

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