Attributes
UniProt ID
Protein Name
Catechol O-methyltransferase
Ligand Name
N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZTSZMLSDNBUFMA-WIRSHZJASA-N
SMILES
CCCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3HVJ
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Color Legend
Unassigned regionsLigand / hetero atomse3hvjA1e3hvjB1