Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50380095
Substrate
n/a
Meas. Tech.
ChEMBL_810973 (CHEMBL2016367)
IC50
340±n/a nM
Citation
 Karoli, T; Mamidyala, SK; Zuegg, J; Fry, SR; Tee, EH; Bradford, TA; Madala, PK; Huang, JX; Ramu, S; Butler, MS; Cooper, MA Structure aided design of chimeric antibiotics. Bioorg Med Chem Lett 22:2428-33 (2012) [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:
BDBM50380095
Synonyms:
CHEMBL2012911
Type:
Small organic molecule
Emp. Form.:
C14H17N5O2
Mol. Mass.:
287.3171
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc2NCCOc12
Structure:
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