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Attributes

UniProt ID
Protein Name
Dihydrofolate reductase
Ligand Name
6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VPNXKXUNASBBLU-UHFFFAOYSA-N
SMILES
CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3JVX
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Color Legend
Unassigned regionsLigand / hetero atomse3jvxA1e3jvxB1
ECOD domains from experimental PDB structures interacting with ligand EKB
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q81R22n/aEKB3jvxe3jvxA1A:-3-162
Q81R22n/aEKB3jvxe3jvxB1B:-3-162
Q81R22n/aEKB3jwce3jwcA1A:-2-162
Q81R22n/aEKB3jwce3jwcB1B:-2-162