Ligand · 7R9
7R9 · 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide
7R9, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide (C26 H32 Cl F2 N5 O6 S2, 648.1 g/mol), in the MolNFT structures…
- Component
- 7R9
- Formula
- C26 H32 Cl F2 N5 O6 S2
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
7R9 in 4 structures; the first of them:
- 4BTI · factor Xa in complex with the dual thrombin-FXa inhibitor 58. · 7R9 B1246 · binds HIS57, GLN61, LYS96, GLU97, THR98, TYR99, PHE174, ASP189 and 14 more
- 4LXB · Crystal Structure Analysis of thrombin in complex with compound D58 · 7R9 H304 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more
- 4BTI · Factor xa in complex with the dual thrombin-fxa inhibitor 58. · 7R9 B1246 · binds HIS57, GLN61, LYS96, GLU97, THR98, TYR99, PHE174, ASP189 and 14 more
- 4LXB · Crystal structure analysis of thrombin in complex with compound D58 · 7R9 H304 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more
Residues it binds most
GLY 6, GLU 6, CYS 6, SER 6, TYR 6, GLN 4, TRP 6, ALA 6, ASP 6, HIS 6 (residue and the binding sites it lines).
Found with
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