Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM210931
Substrate
n/a
Meas. Tech.
ChEMBL_1589521 (CHEMBL3829095)
Ki
159±n/a nM
Citation
 Scocchera, E; Reeve, SM; Keshipeddy, S; Lombardo, MN; Hajian, B; Sochia, AE; Alverson, JB; Priestley, ND; Anderson, AC; Wright, DL Charged Nonclassical Antifolates with Activity Against Gram-Positive and Gram-Negative Pathogens. ACS Med Chem Lett 7:692-6 (2016) [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:
BDBM210931
Synonyms:
UCP1175
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3
Mol. Mass.:
402.4458
SMILES:
CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Structure:
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