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Ligand · ARR

ARR · N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide

ARR, N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide (C20 H20 Cl N3 S, 369.9 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…

Component
ARR
Formula
C20 H20 Cl N3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

ARR in 4 structures; the first of them:

  • 1VAF · Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 · ARR A902 · binds ASN115, GLN257, PRO344, ALA345, VAL346, ASN348, MET349, PHE363 and 7 more
  • 1VAG · Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 · ARR A902 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, SER585 and 6 more
  • 1VAF · Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor ar-R17477 · ARR A902 · binds ASN115, GLN257, PRO344, ALA345, VAL346, ASN348, MET349, PHE363 and 7 more
  • 1VAG · Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor ar-R17477 · ARR A902 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, SER585 and 6 more

Residues it binds most

ASN 4, TRP 6, TYR 6, GLN 6, GLU 6, GLY 6, MET 6, PHE 6, PRO 6, VAL 6 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion

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