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Target
Dihydrofolate reductase
Ligand
BDBM50433813
Substrate
n/a
Meas. Tech.
ChEMBL_959374 (CHEMBL2384165)
IC50
4.6±n/a nM
Citation
 Gangjee, A; Namjoshi, OA; Raghavan, S; Queener, SF; Kisliuk, RL; Cody, V Design, synthesis, and molecular modeling of novel pyrido[2,3-d]pyrimidine analogues as antifolates; application of Buchwald-Hartwig aminations of heterocycles. J Med Chem 56:4422-41 (2013) [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:
BDBM50433813
Synonyms:
CHEMBL2382330
Type:
Small organic molecule
Emp. Form.:
C17H20N6O3
Mol. Mass.:
356.3791
SMILES:
COc1cc(cc(OC)c1OC)N(C)c1cnc2nc(N)nc(N)c2c1
Structure:
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