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-cyanobenzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MEWIMDIPLNOYGN-UHFFFAOYSA-N
SMILES
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C#N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6PFF
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Color Legend
Unassigned regionsLigand / hetero atomse6pffA1e6pffA2e6pffB1e6pffB2e6pffC1e6pffC2e6pffD1e6pffD2e6pffE1e6pffE2
ECOD domains from experimental PDB structures interacting with ligand OG1
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0S4TER9 | n/a | OG1 | 6pff | e6pffA1 | A:180-521 |
| A0A0S4TER9 | n/a | OG1 | 6pff | e6pffB2 | B:180-521 |
| A0A0S4TER9 | n/a | OG1 | 6pff | e6pffC1 | C:180-521 |
| A0A0S4TER9 | n/a | OG1 | 6pff | e6pffD2 | D:180-521 |
| A0A0S4TER9 | n/a | OG1 | 6pff | e6pffE2 | E:180-521 |