Attributes
UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HDPZWFCIPQRUTJ-VDGAXYAQSA-N
SMILES
CC(C)CC(C(=O)NC(CC1CCCNC1=O)C(=O)C)NC(=O)c2cc3c([nH]2)cccc3OC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7MBI
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Color Legend
Unassigned regionsLigand / hetero atomse7mbiA1e7mbiA2e7mbiB1e7mbiB2e7mbiC1e7mbiC2e7mbiD1e7mbiD2
ECOD domains from experimental PDB structures interacting with ligand YWJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0DTD1 | n/a | YWJ | 7mbi | e7mbiA1 | A:1-186 |
| P0DTD1 | n/a | YWJ | 7mbi | e7mbiA2 | A:187-303 |
| P0DTD1 | n/a | YWJ | 7mbi | e7mbiB1 | B:1-186 |
| P0DTD1 | n/a | YWJ | 7mbi | e7mbiB2 | B:187-306 |
| P0DTD1 | n/a | YWJ | 7mbi | e7mbiC1 | C:1-186 |
| P0DTD1 | n/a | YWJ | 7mbi | e7mbiC2 | C:187-305 |
| P0DTD1 | n/a | YWJ | 7mbi | e7mbiD1 | D:1-186 |
| P0DTD1 | n/a | YWJ | 7mbi | e7mbiD2 | D:187-306 |