Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50156387
Substrate
n/a
Meas. Tech.
ChEBML_1567918
IC50
20000±n/a nM
Citation
 Kaur, J; Kaur, S; Singh, P Rational modification of the lead molecule: Enhancement in the anticancer and dihydrofolate reductase inhibitory activity. Bioorg Med Chem Lett 26:1936-40 (2016) [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:
BDBM50156387
Synonyms:
CHEMBL3785302
Type:
Small organic molecule
Emp. Form.:
C33H30N6O7
Mol. Mass.:
622.6273
SMILES:
[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2cn(-[#6]-[#6](-[#8])-[#6]-n3cc(\[#6]=[#6]-4/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-4=O)c4ccccc34)c3ccccc23)-[#6]-1=O
Structure:
Search PDB for entries with ligand similarity: