Target
Dihydrofolate reductase
Ligand
BDBM50077799
Substrate
n/a
Meas. Tech.
ChEBML_53605
Ki
0.183000±n/a nM
Citation
 Zuccotto, FBrun, RGonzalez Pacanowska, DRuiz Perez, LMGilbert, IH The structure-based design and synthesis of selective inhibitors of Trypanosoma cruzi dihydrofolate reductase. Bioorg Med Chem Lett 9:1463-8 (1999) [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:
BDBM50077799
Synonyms:
2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL35427
Type:
Small organic molecule
Emp. Form.:
C25H30N8O7
Mol. Mass.:
554.5551
SMILES:
Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Structure:
Search PDB for entries with ligand similarity: