GL1X · GenesisL1 explorer

Ligand · 1QF

1QF · N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide

1QF, N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide (C27 H29 N5 S2, 487.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site…

Component
1QF
Formula
C27 H29 N5 S2
Class
ligand
Structures
6
PDB entries
3

Binding sites

1QF in 6 structures; the first of them:

  • 4KCM · Structure of neuronal nitric oxide synthase heme domain in complex with… · 1QF A803 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, ASN569, MET570 and 9 more
  • 4KCQ · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 1QF A506 · binds VAL106, LEU107, GLN249, PRO336, ALA337, VAL338, ASN340, MET341 and 11 more
  • 4UGO · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · 1QF A904 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 7 more
  • 4KCM · Structure of neuronal nitric oxide synthase heme domain in complex with… · 1QF A803 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, ASN569, MET570 and 9 more
  • 4KCQ · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 1QF A506 · binds VAL106, LEU107, GLN249, PRO336, ALA337, VAL338, ASN340, MET341 and 11 more
  • 4UGO · Structure of bacillus subtilis nitric oxide synthase in complex with… · 1QF A904 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 7 more

Residues it binds most

TRP 10, TYR 10, MET 10, VAL 8, ASN 10, GLN 10, GLU 10, GLY 10, PHE 10, PRO 10 (residue and the binding sites it lines).

Found with

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

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