Attributes
UniProt ID
Protein Name
Catechol O-methyltransferase
Ligand Name
N-[1-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PQAIDYIFCYLFAS-RGJCZRFTSA-N
SMILES
CC(CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)NC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5P9X
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Color Legend
Unassigned regionsLigand / hetero atomse5p9xA1