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Ligand · 701

701 · (2R)-2-(5-chloro-2-thienyl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide

701, (2R)-2-(5-chloro-2-thienyl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide (C18 H24 Cl N3 O5 S2, 462.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
701
Formula
C18 H24 Cl N3 O5 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

701 in 4 structures; the first of them:

  • 2JH0 · Human Thrombin Hirugen Inhibitor complex · 701 D1247 · binds HIS57, TYR60A, TRP60D, LEU99, ASP189, ALA190, CYS191, GLU192 and 10 more
  • 2UWO · Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa · 701 A1245 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 12 more
  • 2JH0 · Human thrombin hirugen inhibitor complex · 701 D1247 · binds HIS57, TYR60A, TRP60D, LEU99, ASP189, ALA190, CYS191, GLU192 and 10 more
  • 2UWO · Selective and dual action orally active inhibitors of thrombin and factor xa · 701 A1245 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 12 more

Residues it binds most

GLY 4, CYS 4, GLU 4, TYR 4, SER 4, TRP 4, ALA 4, ASP 4, PHE 4, VAL 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion

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