Attributes
UniProt ID
Protein Name
Dihydrofolate reductase
Ligand Name
(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QGKBSLZXGYTSQX-GTCGAKFVSA-N
SMILES
CC(C)C1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4ELE
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Color Legend
Unassigned regionsLigand / hetero atomse4eleA1e4eleB1e4eleC1e4eleD1e4eleE1e4eleF1e4eleG1e4eleH1
ECOD domains from experimental PDB structures interacting with ligand 31I