DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl- L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NLPSIHQYIUXYOW-SHJYOGRKSA-N
SMILES
CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)NC5c6ccccc6CC5O)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 2PK6
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse2pk6A1e2pk6B1
ECOD domains from experimental PDB structures interacting with ligand O33
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P03367n/aO332pk6e2pk6A1A:1-99
P03367n/aO332pk6e2pk6B1B:1-99