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Ligand · 3BL

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

3BL, (2S)-2-({[(3S,4aR,8aS)-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
3BL
Formula
C29 H34 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3BL in 2 structures; the first of them:

  • 4TWY · Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor · 3BL A401 · binds THR24, THR25, HIS41, CYS44, THR45, ALA46, MET49, TYR54 and 14 more
  • 4TWY · Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N- decalin type… · 3BL A401 · binds THR24, THR25, HIS41, CYS44, THR45, ALA46, MET49, TYR54 and 14 more

Residues it binds most

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

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