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Target
Dihydrofolate reductase
Ligand
BDBM50211068
Substrate
n/a
Meas. Tech.
ChEMBL_1635957 (CHEMBL3878855)
IC50
18±n/a nM
Citation
 Zhou, X; Lin, K; Ma, X; Chui, WK; Zhou, W Design, synthesis, docking studies and biological evaluation of novel dihydro-1,3,5-triazines as human DHFR inhibitors. Eur J Med Chem 125:1279-1288 (2017) [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:
BDBM50211068
Synonyms:
CHEMBL3946546
Type:
Small organic molecule
Emp. Form.:
C16H23Cl2N5O2S
Mol. Mass.:
420.357
SMILES:
Cl.NC1=NC2(CCSCC2)N(OCCCOc2ccc(Cl)cc2)C(N)=N1 |c:25,t:1|
Structure:
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