Ligand · YKA
YKA · (1R,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl) propane-1-sulfonic acid
YKA, (1R,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl) propane-1-sulfonic acid (C23 H37 F2 N3 O8 S, 553.6 g/mol), in the MolNFT structures…
- Component
- YKA
- Formula
- C23 H37 F2 N3 O8 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
YKA in 2 structures; the first of them:
- 7M00 · Structure of SARS-CoV-2 3CL protease in complex with inhibitor 13c · YKA A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
- 7M00 · Structure of SARS-cov-2 3CL protease in complex with inhibitor 13C · YKA A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 14 more
Residues it binds most
HIS 4, GLN 4, LEU 4, MET 4, ALA 4, ARG 4, ASN 4, ASP 4, CYS 4, GLU 4 (residue and the binding sites it lines).
Found with
- YKD · (1S,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl) propane-1-sulfonic acid
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