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Target
Dihydrofolate reductase
Ligand
BDBM50363564
Substrate
n/a
Meas. Tech.
ChEMBL_1657492 (CHEMBL4006962)
IC50
599±n/a nM
Citation
 Sainas, S; Pippione, AC; Giorgis, M; Lupino, E; Goyal, P; Ramondetti, C; Buccinną, B; Piccinini, M; Braga, RC; Andrade, CH; Andersson, M; Moritzer, AC; Friemann, R; Mensa, S; Al-Kadaraghi, S; Boschi, D; Lolli, 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:
BDBM50363564
Synonyms:
CHEMBL1946851
Type:
Small organic molecule
Emp. Form.:
C16H6F7N3O4
Mol. Mass.:
437.2254
SMILES:
Fc1c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c(F)c1NC(=O)c1no[nH]c1=O
Structure:
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