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Ligand · 3FU

3FU · N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide

3FU, N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide (C22 H28 Cl2 N6 O2, 479.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3FU
Formula
C22 H28 Cl2 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3FU in 2 structures; the first of them:

  • 4PIS · Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor · 3FU A301 · binds SER1, GLY2, SER3, SER4, GLU5, THR24, HIS25, ASP26 and 15 more
  • 4PIS · Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor · 3FU A301 · binds SER1, GLY2, SER3, SER4, GLU5, THR24, HIS25, ASP26 and 15 more

Residues it binds most

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

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