Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50369647
Substrate
n/a
Meas. Tech.
ChEMBL_54390 (CHEMBL668774)
IC50
20±n/a nM
Citation
 Gangjee, A; Yu, J; McGuire, JJ; Cody, V; Galitsky, N; Kisliuk, RL; Queener, SF Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent. J Med Chem 43:3837-51 (2000) [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:
BDBM50369647
Synonyms:
CHEMBL608610
Type:
Small organic molecule
Emp. Form.:
C10H15N2O9P
Mol. Mass.:
338.2079
SMILES:
Cc1cn(C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r|
Structure:
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