Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50077797
Substrate
n/a
Meas. Tech.
ChEMBL_53605 (CHEMBL664356)
Ki
46±n/a nM
Citation
 Zuccotto, F; Brun, R; Gonzalez Pacanowska, D; Ruiz Perez, LM; Gilbert, 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:
BDBM50077797
Synonyms:
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(4-ethoxycarbonyl-butyl)-amino]-benzoylamino}-pentanedioic acid diethyl ester | CHEMBL35552
Type:
Small organic molecule
Emp. Form.:
C30H40N8O7
Mol. Mass.:
624.688
SMILES:
CCOC(=O)CCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC
Structure:
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