Target
Dihydrofolate reductase
Ligand
BDBM50141012
Substrate
n/a
Meas. Tech.
ChEMBL_54219 (CHEMBL884433)
IC50
23±n/a nM
Citation
 Rosowsky, AForsch, RASibley, CHInderlied, CBQueener, SF New 2,4-diamino-5-(2',5'-substituted benzyl)pyrimidines as potential drugs against opportunistic infections of AIDS and other immune disorders. Synthesis and species-dependent antifolate activity. J Med Chem 47:1475-86 (2004) [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:
BDBM50141012
Synonyms:
3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenylethynyl]-benzoic acid | CHEMBL35020
Type:
Small organic molecule
Emp. Form.:
C21H18N4O3
Mol. Mass.:
374.3926
SMILES:
COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1cccc(c1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: