Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50028550
Substrate
n/a
Meas. Tech.
ChEBML_52868
Ki
56000±n/a nM
Citation
 Cody, V; Zakrzewski, SF Molecular structures of 2,4-diaminopyrimidine antifolates with antineoplastic activity. J Med Chem 25:427-30 (1982) [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:
BDBM50028550
Synonyms:
6-Methyl-5-naphthalen-1-yl-pyrimidine-2,4-diamine; methanol | CHEMBL422095
Type:
Small organic molecule
Emp. Form.:
C15H14N4
Mol. Mass.:
250.2985
SMILES:
Cc1nc(N)nc(N)c1-c1cccc2ccccc12 |(6.16,-5.11,;4.82,-4.34,;3.47,-5.11,;2.16,-4.34,;.81,-5.11,;2.16,-2.8,;3.47,-2.03,;3.47,-.49,;4.82,-2.8,;6.13,-2,;7.16,-3.15,;8.66,-2.83,;9.14,-1.39,;8.12,-.24,;8.6,1.24,;7.61,2.36,;6.1,2.04,;5.59,.6,;6.61,-.56,)|
Structure:
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