Attributes
UniProt ID
Protein Name
Catechol O-methyltransferase
Ligand Name
(~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JRURYQJSLYLRLN-BJMVGYQFSA-N
SMILES
CCN(CC)C(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C#N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: P21964_F1
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Color Legend
Unassigned regionsLigand / hetero atomsnD1