Ligand · 898
898 · (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-{4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide
898, (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-{4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide (C20 H23 Cl F N3 O3 S2, 472.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…
- Component
- 898
- Formula
- C20 H23 Cl F N3 O3 S2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
898 in 2 structures; the first of them:
- 2WYJ · Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with… · 898 A1244 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 10 more
- 2WYJ · Structure and property based design of factor xa inhibitors: pyrrolidin-2-ones with… · 898 A1244 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 10 more
Residues it binds most
GLY 2, CYS 2, TYR 2, ALA 2, ASP 2, GLN 2, GLU 2, ILE 2, LYS 2, PHE 2 (residue and the binding sites it lines).
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