Target
Dihydrofolate reductase
Ligand
BDBM50398393
Substrate
n/a
Meas. Tech.
ChEMBL_876347 (CHEMBL2185821)
Ki
15430±n/a nM
Citation
 Corona, PGibellini, FCavalli, ASaxena, PCarta, ALoriga, MLuciani, RPaglietti, GGuerrieri, DNerini, EGupta, SHannaert, VMichels, PAFerrari, SCosti, 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:
BDBM50398393
Synonyms:
CHEMBL2178599
Type:
Small organic molecule
Emp. Form.:
C20H23N9O2
Mol. Mass.:
421.4557
SMILES:
NC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1
Structure:
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