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Target
Dihydrofolate reductase
Ligand
BDBM25818
Substrate
n/a
Meas. Tech.
ChEMBL_1492241 (CHEMBL3530563)
IC50
61±n/a nM
Citation
 Zhou, W; Viswanathan, K; Hill, D; Anderson, AC; Wright, DL Acetylenic linkers in lead compounds: a study of the stability of the propargyl-linked antifolates. Drug Metab Dispos 40:2002-8 (2012) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_STAAU | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase (DfrB) | Tetrahydrofolate dehydrogenase | folA
Type:
Enzyme
Mol. Mass.:
18249.71
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
159
Sequence:
MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
  
Inhibitor
Name:
BDBM25818
Synonyms:
5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | Biphenyl antifolate, 4 | propargyl-based inhibitor, 10a (+/-)
Type:
Small organic molecule
Emp. Form.:
C22H22N4O
Mol. Mass.:
358.4363
SMILES:
COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
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