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Ligand · C7A

C7A · N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl) ethyl]acetamide

C7A, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl) ethyl]acetamide (C25 H32 Cl N3 O2, 442.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
C7A
Formula
C25 H32 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

C7A in 2 structures; the first of them:

  • 7MLF · Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound… · C7A A401 · binds HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 10 more
  • 7MLF · Crystal structure of SARS-cov-2 main protease (3CLPRO/MPRO) covalently bound to compound… · C7A A401 · binds HIS41, CYS44, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 10 more

Residues it binds most

HIS 2, CYS 2, MET 2, ARG 2, ASN 2, ASP 2, GLN 2, GLU 2, GLY 2, LEU 2 (residue and the binding sites it lines).

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