Attributes
UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
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
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GENYQFMDDNZIRG-UCWBBBRQSA-N
SMILES
CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)OC(C)(C)C)NC(=O)OCc2ccccc2
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7C8R
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Color Legend
Unassigned regionsLigand / hetero atomse7c8rA1e7c8rA2
ECOD domains from experimental PDB structures interacting with ligand TG3
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0DTD1 | n/a | TG3 | 7c8r | e7c8rA1 | A:187-306 |
| P0DTD1 | n/a | TG3 | 7c8r | e7c8rA2 | A:1-186 |
| P0DTD1 | n/a | TG3 | 7jt7 | e7jt7A1 | A:1-186 |
| P0DTD1 | n/a | TG3 | 7jt7 | e7jt7A2 | A:187-306 |
| P0DTD1 | n/a | TG3 | 7jw8 | e7jw8A1 | A:1-186 |
| P0DTD1 | n/a | TG3 | 7jw8 | e7jw8A2 | A:187-306 |
| P0DTD1 | n/a | TG3 | 7jw8 | e7jw8B1 | B:187-305 |
| P0DTD1 | n/a | TG3 | 7jw8 | e7jw8B2 | B:1-186 |
| P0DTD1 | n/a | TG3 | 7jw8 | e7jw8C1 | C:1-186 |
| P0DTD1 | n/a | TG3 | 7jw8 | e7jw8C2 | C:187-305 |
| P0DTD1 | n/a | TG3 | 7jw8 | e7jw8D1 | D:187-306 |
| P0DTD1 | n/a | TG3 | 7jw8 | e7jw8D2 | D:1-186 |