Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50010931
Substrate
n/a
Meas. Tech.
ChEBML_54215
IC50
5.9±n/a nM
Citation
 Abraham, A; McGuire, JJ; Galivan, J; Nimec, Z; Kisliuk, RL; Gaumont, Y; Nair, MG Folate analogues. 34. Synthesis and antitumor activity of non-polyglutamylatable inhibitors of dihydrofolate reductase. J Med Chem 34:222-7 (1991) [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:
BDBM50010931
Synonyms:
2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-3-hydroxy-pentanedioic acid | CHEMBL73267
Type:
Small organic molecule
Emp. Form.:
C20H21N7O6
Mol. Mass.:
455.424
SMILES:
Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(C(O)CC(O)=O)C(O)=O)cnc2n1
Structure:
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