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Ligand · 3X5

3X5 · (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal

3X5, (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal (C29 H34 N4 O2, 470.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3X5
Formula
C29 H34 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3X5 in 2 structures; the first of them:

  • 4WY3 · Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor · 3X5 A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 9 more
  • 4WY3 · Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N- decalin type… · 3X5 A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 9 more

Residues it binds most

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

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