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Target
Dihydrofolate reductase
Ligand
BDBM50156386
Substrate
n/a
Meas. Tech.
ChEBML_1567918
IC50
30000±n/a nM
Citation
 Kaur, J; Kaur, S; Singh, P Rational modification of the lead molecule: Enhancement in the anticancer and dihydrofolate reductase inhibitory activity. Bioorg Med Chem Lett 26:1936-40 (2016) [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:
BDBM50156386
Synonyms:
CHEMBL3785354
Type:
Small organic molecule
Emp. Form.:
C41H32Cl2N6O3
Mol. Mass.:
727.637
SMILES:
CC1=NN(C(=O)\C1=C/c1cn(CC(O)Cn2cc(\C=C3\C(C)=NN(C3=O)c3cccc(Cl)c3)c3ccccc23)c2ccccc12)c1cccc(Cl)c1 |c:22,t:1|
Structure:
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