Ligand · 186

186 · [1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester

186, [1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester (C23 H24 N2 O5, 408.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component: 186
Formula: C23 H24 N2 O5
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

186 in 2 structures; the first of them:

1U9Q · Crystal structure of cruzain bound to an alpha-ketoester · 186 X300 · binds GLN19, GLY23, CYS25, TRP26, THR59, ASP60, SER61, SER64 and 12 more
1U9Q · Crystal structure of cruzain bound to an alpha-ketoester · 186 X300 · binds GLN19, GLY23, CYS25, TRP26, THR59, ASP60, SER61, SER64 and 12 more

Residues it binds most

GLY 2, ASP 2, LEU 2, SER 2, TRP 2, ALA 2, ASN 2, CYS 2, GLN 2, GLU 2 (residue and the binding sites it lines).

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