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Target
Dihydrofolate reductase
Ligand
BDBM50336512
Substrate
n/a
Meas. Tech.
ChEMBL_723694 (CHEMBL1677364)
IC50
11.5±n/a nM
Citation
 Bourne, CR; Barrow, EW; Bunce, RA; Bourne, PC; Berlin, KD; Barrow, WW Inhibition of antibiotic-resistant Staphylococcus aureus by the broad-spectrum dihydrofolate reductase inhibitor RAB1. Antimicrob Agents Chemother 54:3825-33 (2010) [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:
BDBM50336512
Synonyms:
(R)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(2-methoxypyrimidin-5-yl)phthalazin-2(1H)-yl)prop-2-en-1-one | CHEMBL1673173
Type:
Small organic molecule
Emp. Form.:
C29H28N8O4
Mol. Mass.:
552.5838
SMILES:
COc1ncc(cn1)[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:11|
Structure:
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