Ligand · J7R
J7R · ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
J7R, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide (C24 H24 Br N5 O4, 526.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every…
- Component
- J7R
- Formula
- C24 H24 Br N5 O4
- Class
- ligand
- Structures
- 6
- PDB entries
- 4
Binding sites
J7R in 6 structures; the first of them:
- 7EN8 · Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 · J7R A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 9 more
- 7ENE · Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04 · J7R A401 · binds HIS41, LEU49, PHE143, LEU144, CYS145, GLY146, CYS148, HIS166 and 8 more
- 8K6D · Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04 · J7R A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 10 more
- 7EN8 · Crystal structure of SARS-cov-2 3CLPRO in complex with the non- covalent inhibitor wu-04 · J7R A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 9 more
- 7END · Crystal structure of SARS-cov 3CLPRO in complex with the non-covalent inhibitor wu-04 · J7R A401 · binds HIS41, MET49, PHE140, LEU141, ASN142, SER144, CYS145, HIS163 and 9 more
- 7ENE · Crystal structure of MERS-cov 3CLPRO in complex with the non-covalent inhibitor wu-04 · J7R A401 · binds HIS41, LEU49, PHE143, LEU144, CYS145, GLY146, CYS148, HIS166 and 8 more
Residues it binds most
HIS 14, GLN 14, MET 14, CYS 14, LEU 14, SER 14, ASP 14, GLU 14, PHE 14, GLY 13 (residue and the binding sites it lines).
Found with
- GOL · Glycerol
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