Ligand · TG3
TG3 · Ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino) butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
TG3, Ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino) butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate (C33 H52 N4 O8, 632.8 g/mol), in the MolNFT…
- Component
- TG3
- Formula
- C33 H52 N4 O8
- Class
- ligand
- Structures
- 4
- PDB entries
- 3
Binding sites
TG3 in 4 structures; the first of them:
- 7C8R · Complex Structure of SARS-CoV-2 3CL Protease with TG-0203770 · TG3 A401 · binds THR25, THR26, LEU27, HIS41, PHE140, LEU141, ASN142, GLY143 and 15 more
- 7C8R · Complex structure of SARS-cov-2 3CL protease with tg-0203770 · TG3 A401 · binds THR25, THR26, LEU27, HIS41, PHE140, LEU141, ASN142, GLY143 and 15 more
- 7JT7 · Crystal structure of SARS-cov-2 3CL protease in complex with compound 4 · TG3 A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 12 more
- 7JW8 · Crystal structure of SARS-cov-2 3CL protease in complex with compound 4 in space group P1 · TG3 A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 10 more
Residues it binds most
HIS 7, THR 7, GLN 7, LEU 7, MET 7, ASN 7, CYS 7, GLU 7, GLY 7, PHE 7 (residue and the binding sites it lines).
Found with
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
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