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Target
Dihydrofolate reductase
Ligand
BDBM25822
Substrate
n/a
Meas. Tech.
ChEMBL_1337107 (CHEMBL3239992)
IC50
1420±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:
BDBM25822
Synonyms:
5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | propargyl-based inhibitor, 17a (+/-)
Type:
Small organic molecule
Emp. Form.:
C22H22N4O
Mol. Mass.:
358.4363
SMILES:
COc1cc(ccc1-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
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