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Target
Dihydrofolate reductase
Ligand
BDBM50203246
Substrate
n/a
Meas. Tech.
ChEMBL_1920945 (CHEMBL4423790)
IC50
689±n/a nM
Citation
 Hopper, AT; Brockman, A; Wise, A; Gould, J; Barks, J; Radke, JB; Sibley, LD; Zou, Y; Thomas, S Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis. J Med Chem 62:1562-1576 (2019) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50203246
Synonyms:
CHEMBL3953119 | US11530198, Example 2
Type:
Small organic molecule
Emp. Form.:
C20H22N6
Mol. Mass.:
346.4289
SMILES:
Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2ccccc2)c(N)n1
Structure:
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