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Ligand · 3BT

3BT · 2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea

3BT, 2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea (C12 H18 N4 S2, 282.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
3BT
Formula
C12 H18 N4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3BT in 2 structures; the first of them:

  • 1D1Y · Bovine endothelial nitric oxide synthase heme domain complexed with 1,3-pbitu (H4B free) · 3BT A820 · binds SER248, GLN249, PRO336, ALA337, VAL338, ASN340, MET341, PHE355 and 6 more
  • 1D1Y · Bovine endothelial nitric oxide synthase heme domain complexed with 1, 3-pbitu (H4B free) · 3BT A820 · binds SER248, GLN249, PRO336, ALA337, VAL338, ASN340, MET341, PHE355 and 6 more

Residues it binds most

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

Found with

  • CAD · Cacodylic acid
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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