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Ligand · 5CB

5CB · N-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide

5CB, N-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide (C22 H23 Cl2 N5 O2 S, 492.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
5CB
Formula
C22 H23 Cl2 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

5CB in 2 structures; the first of them:

  • 2BVX · Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic… · 5CB H1246 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 2BVX · Design and discovery of novel, potent thrombin inhibitors with a solubilizing cationic… · 5CB H1246 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

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

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