Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50529301
Substrate
n/a
Meas. Tech.
ChEMBL_1908254 (CHEMBL4410612)
Ki
20±n/a nM
Citation
 Saepua, S; Sadorn, K; Vanichtanankul, J; Anukunwithaya, T; Rattanajak, R; Vitsupakorn, D; Kamchonwongpaisan, S; Yuthavong, Y; Thongpanchang, C 6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum. Bioorg Med Chem 27:0 (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:
BDBM50529301
Synonyms:
CHEMBL4461699
Type:
Small organic molecule
Emp. Form.:
C23H26Cl2N4O4
Mol. Mass.:
493.383
SMILES:
Cl.Nc1nc(N)c(c(CCCOc2cccc(OCCCC(O)=O)c2)n1)-c1cccc(Cl)c1
Structure:
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