GL1X · GenesisL1 explorer

Ligand · JE2

JE2 · (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide

JE2, (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide (C32 H37 N3 O5 S, 575.7 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records…

Component
JE2
Formula
C32 H37 N3 O5 S
Class
ligand
Structures
8
PDB entries
4

Binding sites

JE2 in 8 structures; the first of them:

  • 1KZK · JE-2147-HIV Protease Complex · JE2 A701 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1MSM · The HIV protease (mutant Q7K L33I L63I) complexed with KNI-764 (an inhibitor) · JE2 B1001 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP30, THR31, VAL32 and 22 more
  • 1MSN · The HIV protease (mutant Q7K L33I L63I V82F I84V) complexed with KNI-764 (an inhibitor) · JE2 B1001 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 2ANL · X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite… · JE2 A3151 · binds ASP34, GLY36, SER37, ILE75, THR76, TYR77, GLY78, SER79 and 12 more
  • 1KZK · Je-2147-HIV protease complex · JE2 A701 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1MSM · The HIV protease (mutant Q7K L33I L63I) complexed with kni-764 (an inhibitor) · JE2 B1001 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP30, THR31, VAL32 and 22 more
  • 1MSN · The HIV protease (mutant Q7K L33I L63I V82F I84V) complexed with kni- 764 (an inhibitor) · JE2 B1001 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 2ANL · X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite… · JE2 A3151 · binds ASP34, GLY36, SER37, ILE75, THR76, TYR77, GLY78, SER79 and 12 more

Residues it binds most

GLY 10, ILE 10, ASP 10, VAL 10, LEU 10, THR 10, ALA 6, PRO 6, SER 4, PHE 6 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.