Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50398388
Substrate
n/a
Meas. Tech.
ChEMBL_876347 (CHEMBL2185821)
Ki
590±n/a nM
Citation
 Corona, P; Gibellini, F; Cavalli, A; Saxena, P; Carta, A; Loriga, M; Luciani, R; Paglietti, G; Guerrieri, D; Nerini, E; Gupta, S; Hannaert, V; Michels, PA; Ferrari, S; Costi, PM Structure-based selectivity optimization of piperidine-pteridine derivatives as potent Leishmania pteridine reductase inhibitors. J Med Chem 55:8318-29 (2012) [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:
BDBM50398388
Synonyms:
CHEMBL2178604
Type:
Small organic molecule
Emp. Form.:
C20H22N8O3
Mol. Mass.:
422.4405
SMILES:
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)cnc2n1
Structure:
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