DrugDomain logoDrugDomain

Attributes

UniProt ID
B6DRA0
Protein Name
Gag polyprotein
Ligand Name
[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
DrugBank ID
None
PDB Ligand Accession
PIO
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES
CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 7OVR
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Color Legend
Unassigned regionsLigand / hetero atomse7ovrA1e7ovrB1e7ovrC1e7ovrD1e7ovrE1e7ovrF1e7ovrH1e7ovrI1e7ovrJ1e7ovrO1e7ovrP1e7ovrQ1e7ovrR1e7ovrS1e7ovrU1e7ovrW1e7ovrY1e7ovrb1e7ovrc1e7ovrd1e7ovre1e7ovrf1e7ovrj1e7ovrl1
ECOD domains from experimental PDB structures interacting with ligand PIO
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
B6DRA0n/aPIO7ovre7ovrA1A:2-116
B6DRA0n/aPIO7ovre7ovrB1B:2-116
B6DRA0n/aPIO7ovre7ovrC1C:2-116
B6DRA0n/aPIO7ovre7ovrD1D:2-116
B6DRA0n/aPIO7ovre7ovrE1E:2-116
B6DRA0n/aPIO7ovre7ovrF1F:2-116
B6DRA0n/aPIO7ovre7ovrH1H:2-116
B6DRA0n/aPIO7ovre7ovrI1I:2-116
B6DRA0n/aPIO7ovre7ovrJ1J:2-116
B6DRA0n/aPIO7ovre7ovrO1O:2-116
B6DRA0n/aPIO7ovre7ovrP1P:2-116
B6DRA0n/aPIO7ovre7ovrQ1Q:2-116
B6DRA0n/aPIO7ovre7ovrR1R:2-116
B6DRA0n/aPIO7ovre7ovrS1S:2-116
B6DRA0n/aPIO7ovre7ovrU1U:2-116
B6DRA0n/aPIO7ovre7ovrW1W:2-116
B6DRA0n/aPIO7ovre7ovrY1Y:2-116
B6DRA0n/aPIO7ovre7ovrb1b:2-116
B6DRA0n/aPIO7ovre7ovrc1c:2-116
B6DRA0n/aPIO7ovre7ovrd1d:2-116
B6DRA0n/aPIO7ovre7ovre1e:2-116
B6DRA0n/aPIO7ovre7ovrf1f:2-116
B6DRA0n/aPIO7ovre7ovrj1j:2-116
B6DRA0n/aPIO7ovre7ovrl1l:2-116