Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50081915
Substrate
n/a
Meas. Tech.
ChEMBL_55095 (CHEMBL665356)
Ki
93±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:
BDBM50081915
Synonyms:
5-[3-(Tetrahydro-pyran-2-yloxy)-benzyl]-pyrimidine-2,4-diamine | CHEMBL344592
Type:
Small organic molecule
Emp. Form.:
C16H20N4O2
Mol. Mass.:
300.3556
SMILES:
Nc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1
Structure:
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