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Ligand · E13

E13 · N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide

E13, N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide (C37 H53 N5 O7 S, 711.9 g/mol), in…

Component
E13
Formula
C37 H53 N5 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

E13 in 2 structures; the first of them:

  • 3LIN · crystal structure of HTLV protease complexed with the inhibitor, KNI-10562 · E13 B117 · binds ARG10, LEU30, ASP32, GLY34, ALA35, ASP36, MET37, VAL39 and 22 more
  • 3LIN · Crystal structure of HTLV protease complexed with the inhibitor, kni- 10562 · E13 B117 · binds ARG10, LEU30, ASP32, GLY34, ALA35, ASP36, MET37, VAL39 and 22 more

Residues it binds most

LEU 12, ALA 12, ASP 12, GLY 12, VAL 12, ILE 12, MET 12, TRP 12, ARG 12, PHE 12 (residue and the binding sites it lines).

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