Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50034929
Substrate
n/a
Meas. Tech.
ChEMBL_55100 (CHEMBL665360)
IC50
0.84±n/a nM
Citation
 Debnath, AK Pharmacophore mapping of a series of 2,4-diamino-5-deazapteridine inhibitors of Mycobacterium avium complex dihydrofolate reductase. J Med Chem 45:41-53 (2001) [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:
BDBM50034929
Synonyms:
6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE | CHEMBL279679
Type:
Small organic molecule
Emp. Form.:
C19H24N6O2
Mol. Mass.:
368.4329
SMILES:
CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Structure:
Search PDB for entries with ligand similarity: