Attributes
UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QWAXKHKRTORLEM-UGJKXSETSA-N
SMILES
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(Cc3ccccc3)NC(=O)C(CC(=O)N)NC(=O)c4ccc5ccccc5n4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2NMY
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Color Legend
Unassigned regionsLigand / hetero atomse2nmyA1e2nmyB1
ECOD domains from experimental PDB structures interacting with ligand DB01232
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04587 | DB01232 | ROC | 2nmy | e2nmyA1 | A:1-99 |
| P04587 | DB01232 | ROC | 2nmy | e2nmyB1 | B:101-199 |
| P04587 | DB01232 | ROC | 2nmz | e2nmzA1 | A:1-99 |
| P04587 | DB01232 | ROC | 2nmz | e2nmzB1 | B:101-199 |
| P04587 | DB01232 | ROC | 2nnk | e2nnkA1 | A:1-99 |
| P04587 | DB01232 | ROC | 2nnk | e2nnkB1 | B:101-199 |
| P04587 | DB01232 | ROC | 2nnp | e2nnpA1 | A:1-99 |
| P04587 | DB01232 | ROC | 2nnp | e2nnpB1 | B:101-199 |
| P04587 | DB01232 | ROC | 3cyx | e3cyxA1 | A:1-99 |
| P04587 | DB01232 | ROC | 3cyx | e3cyxB1 | B:1-99 |
| P04587 | DB01232 | ROC | 3d1x | e3d1xA1 | A:1-99 |
| P04587 | DB01232 | ROC | 3d1x | e3d1xB1 | B:1-99 |
| P04587 | DB01232 | ROC | 3d1y | e3d1yA1 | A:1-99 |
| P04587 | DB01232 | ROC | 3d1y | e3d1yB1 | B:101-199 |