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Target
Dihydrofolate reductase
Ligand
BDBM50294216
Substrate
n/a
Meas. Tech.
ChEMBL_577084 (CHEMBL1031974)
IC50
>23000±n/a nM
Citation
 Barrow, EW; Dreier, J; Reinelt, S; Bourne, PC; Barrow, WW In vitro efficacy of new antifolates against trimethoprim-resistant Bacillus anthracis. Antimicrob Agents Chemother 51:4447-52 (2007) [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:
BDBM50294216
Synonyms:
3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(4-(hydroxymethyl)phenyl)phthalazin-2(1H)-yl)prop-2-en-1-one | CHEMBL537958
Type:
Small organic molecule
Emp. Form.:
C31H30N6O4
Mol. Mass.:
550.6077
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N2N=Cc3ccccc3C2c2ccc(CO)cc2)c1OC |c:22|
Structure:
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