GL1X · GenesisL1 explorer

Ligand · UIB

UIB · (1r,3as,4r,8as,8br)-4-{5-(phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-c]pyrrol-1-yl}-benzamidine

UIB, (1r,3as,4r,8as,8br)-4-{5-(phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-c]pyrrol-1-yl}-benzamidine (C26 H32 N4 O3, 448.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
UIB
Formula
C26 H32 N4 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

UIB in 4 structures; the first of them:

  • 1Y3X · Trypsin inhibitor complex · UIB A1994 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 11 more
  • 1YPJ · Thrombin Inhibitor Complex · UIB H5555 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 13 more
  • 1Y3X · Trypsin inhibitor complex · UIB A1994 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 11 more
  • 1YPJ · Thrombin inhibitor complex · UIB H5555 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 13 more

Residues it binds most

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

Found with

  • CA · Calcium ion

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