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Attributes

UniProt ID
Protein Name
Catechol O-methyltransferase
Ligand Name
4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HZZZGURCIAIEDZ-YJFPSUCWSA-N
SMILES
CNc1c2c(ncn1)n(cn2)C3C(CC(O3)C4CC4CNC(=O)c5cc(cc(c5O)O)c6ccc(cc6)F)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5P9W
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Color Legend
Unassigned regionsLigand / hetero atomse5p9wA1
ECOD domains from experimental PDB structures interacting with ligand 7JN
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P22734n/a7JN5p9we5p9wA1A:3-215