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Attributes

UniProt ID
Protein Name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 -ATPase 1) ATPase
Ligand Name
2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WYOHYTDXVJMKHS-BENPRDFYSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)OP(=O)(O)O)OC5(O4)C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3AR6
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Color Legend
Unassigned regionsLigand / hetero atomse3ar6A2e3ar6A4e3ar6A5e3ar6A7
ECOD domains from experimental PDB structures interacting with ligand 12D
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P04191n/a12D3ar6e3ar6A4A:361-599
P04191n/a12D3ar6e3ar6A5A:344-360,A:600-750