Attributes
UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FDEJWGPULAIBRF-UHFFFAOYSA-N
SMILES
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6PFI
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Color Legend
Unassigned regionsLigand / hetero atomse6pfiA1e6pfiA2e6pfiB1e6pfiB2e6pfiC1e6pfiC2e6pfiD1e6pfiD2e6pfiE1e6pfiE2
ECOD domains from experimental PDB structures interacting with ligand OEP
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0S4TER9 | n/a | OEP | 6pfi | e6pfiA1 | A:180-521 |
| A0A0S4TER9 | n/a | OEP | 6pfi | e6pfiB1 | B:180-521 |
| A0A0S4TER9 | n/a | OEP | 6pfi | e6pfiC2 | C:180-521 |
| A0A0S4TER9 | n/a | OEP | 6pfi | e6pfiD2 | D:180-521 |
| A0A0S4TER9 | n/a | OEP | 6pfi | e6pfiE2 | E:180-521 |