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Attributes

UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VSAKYGGFYNIPDW-UHFFFAOYSA-N
SMILES
CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6A2M
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Color Legend
Unassigned regionsLigand / hetero atomse6a2mA1e6a2mA2e6a2mB1e6a2mB2
ECOD domains from experimental PDB structures interacting with ligand 9QR
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
A7UD81n/a9QR6a2me6a2mA2A:1-231
A7UD81n/a9QR6a2me6a2mB1B:1-231