Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50077796
Substrate
n/a
Meas. Tech.
ChEMBL_53605 (CHEMBL664356)
Ki
0.131000±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:
BDBM50077796
Synonyms:
2-{4-[(4-Carboxy-butyl)-(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL284943
Type:
Small organic molecule
Emp. Form.:
C24H28N8O7
Mol. Mass.:
540.5285
SMILES:
Nc1nc(N)c2nc(CN(CCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Structure:
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