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Target
Dihydrofolate reductase
Ligand
BDBM50461742
Substrate
n/a
Meas. Tech.
ChEMBL_1771934 (CHEMBL4224046)
IC50
1372±n/a nM
Citation
 Shah, K; Lin, X; Queener, SF; Cody, V; Pace, J; Gangjee, A Targeting species specific amino acid residues: Design, synthesis and biological evaluation of 6-substituted pyrrolo[2,3-d]pyrimidines as dihydrofolate reductase inhibitors and potential anti-opportunistic infection agents. Bioorg Med Chem 26:2640-2650 (2018) [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:
BDBM50461742
Synonyms:
CHEMBL4226465
Type:
Small organic molecule
Emp. Form.:
C15H17N5OS
Mol. Mass.:
315.393
SMILES:
COc1ccc(Sc2c(C)c3c(N)nc(N)nc3n2C)cc1
Structure:
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