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Ligand · BT2

BT2 · 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene

BT2, 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene (C33 H38 N2 O2 S, 526.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
BT2
Formula
C33 H38 N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BT2 in 2 structures; the first of them:

  • 1D3Q · Crystal structure of human alpha thrombin in complex with BENZO[B]THIOPHENE inhibitor 2 · BT2 B400 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE215, ASP235 and 11 more
  • 1D3Q · Crystal structure of human alpha thrombin in complex with BENZO[B]THIOPHENE inhibitor 2 · BT2 B400 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE215, ASP235 and 11 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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