DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Coenzyme A disulfide reductase
Ligand Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VRGBEUJWLKBAGR-VXAHOBLNSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 4EM4
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 atomse4em4A7e4em4A8e4em4A9e4em4B7e4em4B8e4em4B9
ECOD domains from experimental PDB structures interacting with ligand CA8
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q2FIA5n/aCA84em4e4em4A7A:318-438
Q2FIA5n/aCA84em4e4em4A8A:2-120,A:237-317
Q2FIA5n/aCA84em4e4em4B7B:318-438
Q2FIA5n/aCA84em4e4em4B8B:121-317
Q2FIA5n/aCA84em4e4em4B9B:2-120