Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50141011
Substrate
n/a
Meas. Tech.
ChEMBL_55238 (CHEMBL666992)
IC50
0.64±n/a nM
Citation
 Rosowsky, A; Forsch, RA; Sibley, CH; Inderlied, CB; Queener, 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:
BDBM50141011
Synonyms:
6-(3,5-Dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL38053
Type:
Small organic molecule
Emp. Form.:
C17H19N5O2
Mol. Mass.:
325.3651
SMILES:
COc1cc(Cc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1
Structure:
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