GL1X · GenesisL1 explorer

Ligand · YKV

YKV · (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

YKV, (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid (C28 H41 F2 N3 O8 S, 617.7 g/mol), in the MolNFT structures on…

Component
YKV
Formula
C28 H41 F2 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YKV in 2 structures; the first of them:

  • 7M01 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c · YKV A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
  • 7M01 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 14C · YKV A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more

Residues it binds most

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

Found with

  • YKS · (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

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