Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50081909
Substrate
n/a
Meas. Tech.
ChEMBL_53497 (CHEMBL665621)
Ki
11±n/a nM
Citation
 Chowdhury, SF; Villamor, VB; Guerrero, RH; Leal, I; Brun, R; Croft, SL; Goodman, JM; Maes, L; Ruiz-Perez, LM; Pacanowska, DG; Gilbert, IH Design, synthesis, and evaluation of inhibitors of trypanosomal and leishmanial dihydrofolate reductase. J Med Chem 42:4300-12 (1999) [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:
BDBM50081909
Synonyms:
5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-(3-Benzyloxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL274031
Type:
Small organic molecule
Emp. Form.:
C18H18N4O
Mol. Mass.:
306.3617
SMILES:
Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1
Structure:
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