Attributes
UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZFQOKUXSWWJOFS-UHFFFAOYSA-N
SMILES
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6PFG
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse6pfgA1e6pfgA2e6pfgB1e6pfgB2e6pfgC1e6pfgC2e6pfgD1e6pfgD2e6pfgE1e6pfgE2
ECOD domains from experimental PDB structures interacting with ligand OFJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0S4TER9 | n/a | OFJ | 6pfg | e6pfgA2 | A:179-521 |
| A0A0S4TER9 | n/a | OFJ | 6pfg | e6pfgB2 | B:180-521 |
| A0A0S4TER9 | n/a | OFJ | 6pfg | e6pfgC1 | C:180-521 |
| A0A0S4TER9 | n/a | OFJ | 6pfg | e6pfgD1 | D:180-521 |
| A0A0S4TER9 | n/a | OFJ | 6pfg | e6pfgE1 | E:180-521 |