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Attributes

UniProt ID
Protein Name
Dihydrofolate reductase
Ligand Name
4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KQGRJTMRAQWNLV-UHFFFAOYSA-N
SMILES
CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5JA3
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Color Legend
Unassigned regionsLigand / hetero atomse5ja3A1e5ja3B1e5ja3C1e5ja3D1
ECOD domains from experimental PDB structures interacting with ligand U06
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P9WNX0n/aU065ja3e5ja3A1A:1-159
P9WNX0n/aU065ja3e5ja3B1B:1-159
P9WNX0n/aU065ja3e5ja3C1C:1-159
P9WNX0n/aU065ja3e5ja3D1D:1-159