GL1X · GenesisL1 explorer

Ligand · YRE

YRE · (7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide

YRE, (7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide (C32 H47 N5 O6, 597.8 g/mol), in the MolNFT structures on GenesisL1…

Component
YRE
Formula
C32 H47 N5 O6
Class
ligand
Structures
2
PDB entries
2

Binding sites

YRE in 2 structures; the first of them:

  • 8G6E · Structure of the Plasmodium falciparum 20S proteasome complexed with inhibitor TDI-8304 · YRE C301 · binds ARG96, TYR99, ASN100, THR64, ILE68, TYR71, TYR105, LYS87 and 3 more
  • 8UD9 · Structure of human constitutive 20S proteasome complexed with the inhibitor TDI-8304 · YRE L301 · binds THR1, ARG19, ALA20, THR21, ALA22, GLY23, ALA27, VAL31 and 15 more

Residues it binds most

ALA 8, ARG 8, TYR 8, GLY 6, ASP 6, SER 4, THR 8, LYS 8, VAL 6, CYS 4 (residue and the binding sites it lines).

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