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Ligand · YM1

YM1 · (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino) pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl) propane-1-sulfonic acid

YM1, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino) pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl) propane-1-sulfonic acid (C21 H24 F5 N3 O8 S, 573.5 g/mol), in the MolNFT structures on GenesisL1…

Component
YM1
Formula
C21 H24 F5 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YM1 in 2 structures; the first of them:

  • 7M04 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 21c · YM1 A402 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 11 more
  • 7M04 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 21C · YM1 A402 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 11 more

Residues it binds most

HIS 4, LEU 4, MET 4, ALA 4, ARG 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4 (residue and the binding sites it lines).

Found with

  • YLV · (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino) pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl) propane-1-sulfonic acid
  • PG4 · Tetraethylene glycol

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