Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50029772
Substrate
n/a
Meas. Tech.
ChEMBL_55100 (CHEMBL665360)
IC50
0.82±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:
BDBM50029772
Synonyms:
5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL23532
Type:
Small organic molecule
Emp. Form.:
C18H22N6O3
Mol. Mass.:
370.4057
SMILES:
COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Structure:
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