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-cyanophenyl]acetic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZVNRPTCYZJBJNB-UHFFFAOYSA-N
SMILES
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C#N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6PFH
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Color Legend
Unassigned regionsLigand / hetero atomse6pfhA1e6pfhA2e6pfhB1e6pfhB2e6pfhC1e6pfhC2e6pfhD1e6pfhD2e6pfhE1e6pfhE2
ECOD domains from experimental PDB structures interacting with ligand OFD
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0S4TER9 | n/a | OFD | 6pfh | e6pfhA2 | A:180-521 |
| A0A0S4TER9 | n/a | OFD | 6pfh | e6pfhB2 | B:180-521 |
| A0A0S4TER9 | n/a | OFD | 6pfh | e6pfhC1 | C:180-521 |
| A0A0S4TER9 | n/a | OFD | 6pfh | e6pfhD1 | D:180-521 |
| A0A0S4TER9 | n/a | OFD | 6pfh | e6pfhE1 | E:180-521 |