DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NHCWVIKQVTUOGE-HAMVXVSQSA-N
SMILES
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(=O)C(Cc3ccccc3)NC(=O)C(C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2F3K
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Color Legend
Unassigned regionsLigand / hetero atomse2f3kA1e2f3kB1
ECOD domains from experimental PDB structures interacting with ligand RO1
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P03369n/aRO12f3ke2f3kA1A:1-99
P03369n/aRO12f3ke2f3kB1B:1-99