Attributes
UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
(3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QWMNYFXRFHGYGS-DDGGWZRMSA-N
SMILES
CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C4CCOC4O3)O)S(=O)(=O)c5ccc(cc5)OC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4HDB
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Color Legend
Unassigned regionsLigand / hetero atomse4hdbA1e4hdbB1
ECOD domains from experimental PDB structures interacting with ligand G52
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P03367 | n/a | G52 | 4hdb | e4hdbA1 | A:1-99 |
| P03367 | n/a | G52 | 4hdb | e4hdbB1 | B:101-199 |
| P03367 | n/a | G52 | 4hdf | e4hdfA1 | A:1-99 |
| P03367 | n/a | G52 | 4hdf | e4hdfB1 | B:1-99 |
| P03367 | n/a | G52 | 4hdp | e4hdpA1 | A:1-99 |
| P03367 | n/a | G52 | 4hdp | e4hdpB1 | B:1-99 |
| P03367 | n/a | G52 | 4he9 | e4he9A1 | A:1-99 |
| P03367 | n/a | G52 | 4he9 | e4he9B1 | B:1-99 |
| P03367 | n/a | G52 | 4heg | e4hegA1 | A:1-99 |
| P03367 | n/a | G52 | 4heg | e4hegB1 | B:1-99 |
| P03367 | n/a | G52 | 4j54 | e4j54A1 | A:1-99 |
| P03367 | n/a | G52 | 4j54 | e4j54B1 | B:1-99 |
| P03367 | n/a | G52 | 8dch | e8dchA1 | A:1-99 |
| P03367 | n/a | G52 | 8dch | e8dchB1 | B:1-99 |