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Ligand · BT1

BT1 · {2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone

BT1, {2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone (C32 H35 N3 O3 S, 541.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
BT1
Formula
C32 H35 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BT1 in 2 structures; the first of them:

  • 1D3T · Crystal structure of human alpha thrombin in complex with BENZO[B]THIOPHENE inhibitor 1 · BT1 B400 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE215, ASP235 and 10 more
  • 1D3T · Crystal structure of human alpha thrombin in complex with BENZO[B]THIOPHENE inhibitor 1 · BT1 B400 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE215, ASP235 and 10 more

Residues it binds most

CYS 2, GLU 2, GLY 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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