Ligand · YKS
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
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 (C28 H41 F2 N3 O8 S, 617.7 g/mol), in the MolNFT structures on…
- Component
- YKS
- Formula
- C28 H41 F2 N3 O8 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
YKS in 2 structures; the first of them:
- 7M01 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c · YKS A402 · binds LEU27, HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 13 more
- 7M01 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 14C · YKS A402 · binds LEU27, HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 13 more
Residues it binds most
HIS 4, LEU 4, MET 4, GLN 4, ALA 4, ARG 4, ASN 4, ASP 4, CYS 4, GLU 4 (residue and the binding sites it lines).
Found with
- 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
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