Attributes
UniProt ID
Protein Name
Dihydrofolate reductase
Ligand Name
(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl ]prop-2-en-1-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YOZBLXHLSFVRNH-CQQBXOTJSA-N
SMILES
COc1cc(cc(c1OC)C=CC(=O)N2C(c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4ELF
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Color Legend
Unassigned regionsLigand / hetero atomse4elfA1e4elfB1e4elfC1e4elfD1e4elfE1e4elfF1e4elfG1e4elfH1
ECOD domains from experimental PDB structures interacting with ligand 35I