Attributes
UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PABYCMRDFQGQKT-UHFFFAOYSA-N
SMILES
c1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6PFB
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Color Legend
Unassigned regionsLigand / hetero atomse6pfbA1e6pfbA2e6pfbB1e6pfbB2e6pfbC1e6pfbC2e6pfbD1e6pfbD2e6pfbE1e6pfbE2
ECOD domains from experimental PDB structures interacting with ligand OG4
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0S4TER9 | n/a | OG4 | 6pfb | e6pfbA1 | A:179-521 |
| A0A0S4TER9 | n/a | OG4 | 6pfb | e6pfbB1 | B:179-521 |
| A0A0S4TER9 | n/a | OG4 | 6pfb | e6pfbC2 | C:180-521 |
| A0A0S4TER9 | n/a | OG4 | 6pfb | e6pfbD2 | D:180-521 |
| A0A0S4TER9 | n/a | OG4 | 6pfb | e6pfbE1 | E:179-521 |