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Ligand · A1AGL

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

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 (C27 H46 N4 O9 S, 602.7 g/mol), in the MolNFT structures on GenesisL1…

Component
A1AGL
Formula
C27 H46 N4 O9 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1AGL in 1 structure; the first of them:

  • 9ATD · Crystal structure of MERS 3CL protease in complex with a ethylcyclohexyl 2-pyrrolidone… · A1AGL A401 · binds HIS41, LEU49, TYR54, PHE143, LEU144, CYS145, GLY146, SER147 and 13 more

Residues it binds most

HIS 1, LEU 1, CYS 1, GLN 1, ALA 1, ASP 1, GLU 1, GLY 1, LYS 1, MET 1 (residue and the binding sites it lines).

Found with

  • 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

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