~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide
P22734 — Catechol O-methyltransferase
Attributes
UniProt ID
Protein Name
Catechol O-methyltransferase
Ligand Name
~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
None
PubChem ID
InChIKey
XTRPLJQALBTCJE-ZYNJZHFOSA-N
SMILES
CCc1c2c(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