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)methyl]benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BBGUOTHUKQSSGG-UHFFFAOYSA-N
SMILES
c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6PFA
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Color Legend
Unassigned regionsLigand / hetero atomse6pfaA1e6pfaA2e6pfaB1e6pfaB2e6pfaC1e6pfaC2e6pfaD1e6pfaD2e6pfaE1e6pfaE2
ECOD domains from experimental PDB structures interacting with ligand OF4
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0S4TER9 | n/a | OF4 | 6pfa | e6pfaA2 | A:180-521 |
| A0A0S4TER9 | n/a | OF4 | 6pfa | e6pfaB1 | B:180-521 |
| A0A0S4TER9 | n/a | OF4 | 6pfa | e6pfaC2 | C:179-521 |
| A0A0S4TER9 | n/a | OF4 | 6pfa | e6pfaD1 | D:180-521 |
| A0A0S4TER9 | n/a | OF4 | 6pfa | e6pfaE2 | E:180-521 |