Attributes
UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CRGQDUYGPMHVEY-UHFFFAOYSA-N
SMILES
c1ccc(cc1)OCCCOCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7FGY
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Color Legend
Unassigned regionsLigand / hetero atomse7fgyA1e7fgyA2e7fgyB1e7fgyB2e7fgyC1e7fgyC2e7fgyD1e7fgyD2
ECOD domains from experimental PDB structures interacting with ligand 4TS