Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50007818
Substrate
n/a
Meas. Tech.
ChEMBL_1337107 (CHEMBL3239992)
IC50
172±n/a nM
Citation
 G-Dayanandan, N; Paulsen, JL; Viswanathan, K; Keshipeddy, S; Lombardo, MN; Zhou, W; Lamb, KM; Sochia, AE; Alverson, JB; Priestley, ND; Wright, DL; Anderson, AC Propargyl-linked antifolates are dual inhibitors of Candida albicans and Candida glabrata. J Med Chem 57:2643-56 (2014) [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:
BDBM50007818
Synonyms:
CHEMBL3234116
Type:
Small organic molecule
Emp. Form.:
C23H24N4O
Mol. Mass.:
372.4629
SMILES:
CCc1nc(N)nc(N)c1C#CC(C)c1ccc(cc1OC)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: