DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Protein 4.2
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
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

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Structure: 7V0K
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Color Legend
Unassigned regionsLigand / hetero atomse7v0kD1e7v0kH1e7v0kH2e7v0kK1e7v0kL1e7v0kN1e7v0kO1e7v0kO2e7v0kP1e7v0kP2e7v0kQ1e7v0kX1e7v0kX2e7v0kX3e7v0kX4
ECOD domains from experimental PDB structures interacting with ligand PIO
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P16452n/aPIO7v0ke7v0kX4X:4-144
P16452n/aPIO8cs9e8cs9X4X:4-144