Attributes
UniProt ID
Protein Name
Catechol O-methyltransferase
Ligand Name
S-ADENOSYLMETHIONINE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3A7E
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Color Legend
Unassigned regionsLigand / hetero atomse3a7eA1
ECOD domains from experimental PDB structures interacting with ligand DB00118
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P21964 | DB00118 | SAM | 3a7e | e3a7eA1 | A:3-214 |
| P21964 | DB00118 | SAM | 3bwm | e3bwmA1 | A:2-215 |
| P21964 | DB00118 | SAM | 4xuc | e4xucA1 | A:48-265 |
| P21964 | DB00118 | SAM | 4xud | e4xudA1 | A:48-265 |
| P21964 | DB00118 | SAM | 4xue | e4xueA1 | A:52-265 |
| P21964 | DB00118 | SAM | 4xue | e4xueB1 | B:51-265 |
| P21964 | DB00118 | SAM | 5lsa | e5lsaA1 | A:53-266 |
| P21964 | DB00118 | SAM | 6i3c | e6i3cA1 | A:2-215 |