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Ligand · SDJ

SDJ · (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal

SDJ, (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal (C25 H35 N5 O2, 437.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
SDJ
Formula
C25 H35 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

SDJ in 2 structures; the first of them:

  • 5C5O · Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type… · SDJ A401 · binds THR25, HIS41, CYS44, THR45, ALA46, MET49, TYR54, PHE140 and 14 more
  • 5C5O · Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S, R)-N-decalin type… · SDJ A401 · binds THR25, HIS41, CYS44, THR45, ALA46, MET49, TYR54, PHE140 and 14 more

Residues it binds most

HIS 4, CYS 4, MET 4, THR 4, SER 4, ALA 4, ASN 4, ASP 4, GLN 4, GLU 4 (residue and the binding sites it lines).

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