Target
Dihydrofolate reductase
Ligand
BDBM50235589
Substrate
n/a
Meas. Tech.
ChEMBL_1657492 (CHEMBL4006962)
IC50
36±n/a nM
Citation
 Sainas, SPippione, ACGiorgis, MLupino, EGoyal, PRamondetti, CBuccinną, BPiccinini, MBraga, RCAndrade, CHAndersson, MMoritzer, ACFriemann, RMensa, SAl-Kadaraghi, SBoschi, DLolli, ML Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds. Eur J Med Chem 129:287-302 (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:
BDBM50235589
Synonyms:
CHEMBL4090575
Type:
Small organic molecule
Emp. Form.:
C19H14F4N4O2
Mol. Mass.:
406.3337
SMILES:
Oc1nnn(CC2CC2)c1C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1ccccc1
Structure:
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