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Ligand · 3A7

3A7 · (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal

3A7, (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal (C23 H29 Br N4 O2, 473.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3A7
Formula
C23 H29 Br N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3A7 in 2 structures; the first of them:

  • 4TWW · Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor · 3A7 A401 · binds HIS41, ALA46, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 11 more
  • 4TWW · Structure of SARS-3CL protease complex with a bromobenzoyl (S,R)-N- decalin type inhibitor · 3A7 A401 · binds HIS41, ALA46, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 11 more

Residues it binds most

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

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