Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50294211
Substrate
n/a
Meas. Tech.
ChEMBL_577084 (CHEMBL1031974)
IC50
110000±n/a nM
Citation
Barrow, EW; Dreier, J; Reinelt, S; Bourne, PC; Barrow, WW In vitro efficacy of new antifolates against trimethoprim-resistant Bacillus anthracis. Antimicrob Agents Chemother 51:4447-52 (2007) [PubMed] Article
More Info.:
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:
BDBM50294211
Synonyms:
3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-3-hydroxy-2-methoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | BAL-17662 | CHEMBL560502
Type:
Small organic molecule
Emp. Form.:
C26H28N6O3
Mol. Mass.:
472.5389
SMILES:
CCCC1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(O)c1OC |c:5|