GL1X · GenesisL1 explorer

Ligand · QWE

QWE · amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium

QWE, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium (C29 H40 N7 O4 S2 +1, 614.8 g/mol), in the MolNFT structures on GenesisL1…

Component
QWE
Formula
C29 H40 N7 O4 S2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

QWE in 2 structures; the first of them:

  • 1A4W · Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1'… · QWE H373 · binds HIS57, TYR60A, TRP60D, LYS60F, GLU97A, LEU99, ILE174, ASP189 and 12 more
  • 1A4W · Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1'… · QWE H373 · binds HIS57, TYR60A, TRP60D, LYS60F, GLU97A, LEU99, ILE174, ASP189 and 12 more

Residues it binds most

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

Found with

  • NA · Sodium ion

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