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Target
Dihydrofolate reductase
Ligand
BDBM50160594
Substrate
n/a
Meas. Tech.
ChEMBL_1566186 (CHEMBL3788092)
IC50
>100000±n/a nM
Citation
 Ng, HL; Chen, S; Chew, EH; Chui, WK Applying the designed multiple ligands approach to inhibit dihydrofolate reductase and thioredoxin reductase for anti-proliferative activity. Eur J Med Chem 115:63-74 (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:
BDBM50160594
Synonyms:
CHEMBL3785320
Type:
Small organic molecule
Emp. Form.:
C20H22ClN5O
Mol. Mass.:
383.875
SMILES:
Cl.CC1(C)N=C(N)N=C(N)N1c1ccc(\C=C\C(=O)c2ccccc2)cc1 |t:3,6|
Structure:
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