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Attributes

UniProt ID
Protein Name
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand Name
5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XMRJZVVWOPBOKP-UHFFFAOYSA-N
SMILES
c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 6KP2
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Color Legend
Unassigned regionsLigand / hetero atomse6kp2A1e6kp2A2e6kp2B1e6kp2B2
ECOD domains from experimental PDB structures interacting with ligand DQ3
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
D9N170n/aDQ36kp2e6kp2A1A:4-229
D9N170n/aDQ36kp2e6kp2B2B:4-229