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Ligand · UIP

UIP · (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine

UIP, (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine (C26 H30 N4 O3, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
UIP
Formula
C26 H30 N4 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

UIP in 4 structures; the first of them:

  • 1Y3W · Trypsin inhibitor complex · UIP A1994 · binds HIS57, SER96, ASN97, THR98, LEU99, GLN175, ASP189, SER190 and 12 more
  • 1YPE · Thrombin Inhibitor Complex · UIP H5555 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 11 more
  • 1Y3W · Trypsin inhibitor complex · UIP A1994 · binds HIS57, SER96, ASN97, THR98, LEU99, GLN175, ASP189, SER190 and 12 more
  • 1YPE · Thrombin inhibitor complex · UIP H5555 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 11 more

Residues it binds most

SER 4, GLY 4, TRP 4, CYS 4, ASN 4, ASP 4, GLN 2, GLU 2, HIS 4, LEU 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • GOL · Glycerol

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