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Ligand · 8EI

8EI · (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate

8EI, (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate (C20 H20 Cl F N6 O3, 446.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
8EI
Formula
C20 H20 Cl F N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8EI in 2 structures; the first of them:

  • 7S76 · HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION · 8EI A201 · binds PHE23, PRO25, ASP29, LEU30, THR33, TRP102, ILE105, SER106 and 5 more
  • 7S76 · HBV capsid Y132A with compound 10B at 2.5A resolution · 8EI A201 · binds PHE23, PRO25, ASP29, LEU30, THR33, TRP102, ILE105, SER106 and 5 more

Residues it binds most

ILE 12, LEU 12, SER 12, PHE 12, PRO 12, THR 12, TRP 12, ASP 12, TYR 12, ALA 6 (residue and the binding sites it lines).

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