DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Coenzyme A disulfide reductase
Ligand Name
ethyl 5-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OMRRJLLNJAFEOX-ZMHDXICWSA-N
SMILES
CCOC(=O)CCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 4EMW
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Color Legend
Unassigned regionsLigand / hetero atomse4emwA7e4emwA8e4emwA9e4emwB7e4emwB8e4emwB9
ECOD domains from experimental PDB structures interacting with ligand CAJ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q2FIA5n/aCAJ4emwe4emwA7A:318-437
Q2FIA5n/aCAJ4emwe4emwA8A:2-121
Q2FIA5n/aCAJ4emwe4emwA9A:122-317
Q2FIA5n/aCAJ4emwe4emwB7B:318-437
Q2FIA5n/aCAJ4emwe4emwB8B:2-121
Q2FIA5n/aCAJ4emwe4emwB9B:122-317