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Ligand · BT3

BT3 · 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol

BT3, 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol (C32 H37 N3 O3 S, 543.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
BT3
Formula
C32 H37 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BT3 in 2 structures; the first of them:

  • 1D3P · Crystal structure of human aplha-thrombin in complex with BENZO[B]THIOPHENE inhibitor 3 · BT3 B400 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE215, ASP235 and 12 more
  • 1D3P · Crystal structure of human aplha-thrombin in complex with BENZO[B]THIOPHENE inhibitor 3 · BT3 B400 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE215, ASP235 and 12 more

Residues it binds most

GLY 2, CYS 2, GLU 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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