Ligand · 80I
80I · [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl) carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
80I, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl) carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate (C24 H33 N4 O9 P, 552.5 g/mol), in the MolNFT…
- Component
- 80I
- Formula
- C24 H33 N4 O9 P
- Class
- ligand
- Structures
- 6
- PDB entries
- 5
Binding sites
80I in 6 structures; the first of them:
- 7WQJ · Crystal structure of MERS main protease in complex with PF07304814 · 80I A401 · binds HIS41, LEU49, PHE143, LEU144, CYS145, GLY146, SER147, CYS148 and 10 more
- 8HVU · Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07304814 · 80I A401 · binds THR25, LEU27, HIS41, PHE140, LEU141, ASN142, GLY143, SER144 and 12 more
- 8IM6 · Crystal structure of HCoV 229E main protease in complex with PF07304814 · 80I A401 · binds VAL26, HIS41, TYR53, PHE139, ILE140, ASN141, GLY142, ALA143 and 13 more
- 7VVP · Crystal structure of SARS-cov-2 main protease in complex with PF07304814 · 80I B301 · binds THR26, HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 9 more
- 7WQH · Crystal structure of hcov-NL63 main protease with PF07304814 · 80I A401 · binds HIS41, PHE139, ASN141, GLY142, ALA143, CYS144, HIS163, GLN164 and 6 more
- 7WQJ · Crystal structure of MERS main protease in complex with PF07304814 · 80I A401 · binds LEU49, PHE143, LEU144, CYS145, GLY146, SER147, CYS148, HIS166 and 9 more
Residues it binds most
HIS 9, GLN 9, LEU 8, GLY 9, CYS 9, ASN 7, GLU 9, PHE 9, ILE 4, THR 4 (residue and the binding sites it lines).
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