GL1X · GenesisL1 explorer

Ligand · A1AGK

A1AGK · (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

A1AGK, (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (C27 H46 N4 O9 S, 602.7 g/mol), in the MolNFT structures on GenesisL1…

Component
A1AGK
Formula
C27 H46 N4 O9 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1AGK in 2 structures; the first of them:

  • 9AT3 · Crystal structure of SARS-CoV-2 3CL protease in complex with an ethylcyclohexyl… · A1AGK A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, SER144, CYS145, HIS163 and 11 more
  • 9ATD · Crystal structure of MERS 3CL protease in complex with a ethylcyclohexyl 2-pyrrolidone… · A1AGK A402 · binds HIS41, LEU49, TYR54, PHE143, LEU144, CYS145, SER147, CYS148 and 12 more

Residues it binds most

HIS 3, LEU 3, MET 3, CYS 3, GLN 3, ALA 3, ASP 3, GLU 3, PHE 3, SER 3 (residue and the binding sites it lines).

Found with

  • A1AGL · (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
  • CA · Calcium ion

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