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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM585326
Substrate
n/a
Meas. Tech.
TBD
IC50
2.51±n/a nM
Citation
 Thomas, SB; Hopper, AT; Welsch, M Compositions and methods for treating infections US Patent  US11530198 Publication Date 12/20/2022 
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
DHFR-TS | DRTS_TRYBB
Type:
Protein
Mol. Mass.:
58816.77
Organism:
Trypanosoma brucei brucei
Description:
Q27783
Residue:
527
Sequence:
MLSLTRILRKKIPVHELAGKISRPPLRPFSVVVASDEKGGIGDGGTIPWEIPEDMQYFRRVTTNLRGKNVKPSPSKRNAVVMGRKTWDSLPPKFRPLSNRLNVVLSRSATKEQLLAGIPDPIKRAEAANDVVAVNGGLEDALRMLVSKEHTSSIETVFCIGGGTIYKQALCAPCVNVLQAIHRTVVRPASNSCSVFFDIPAAGTKTPEGLELVRESITDERVSTGAGGKKYQFEKLVPRNSEEEQYLNLVGRIIDEGCTKCDRTGVGTRSLFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFLRGETNAKLLSDKGIHIWDGNGSRAFLDSRGLTDYDEMDLGPVYGFQWRHFGADYISCKVDSEGKGVDQIANIVKSLIENPDDRRMICTAWNPAALPRMALPPCHMMAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTFLMAKASGLRPGELVHTLGDAHVYSNHVEPCRKQLKRVPRPFPFIVFKQDKEFLEDFQESDIEVIDYSPYPVISMEMAV
  
Inhibitor
Name:
BDBM585326
Synonyms:
5-(4-(3-(2-chloropyrimidin-5- yl)phenyl)piperazin-1- yl)pyrimidine-2,4-diamine | US11530198, Example 100
Type:
Small organic molecule
Emp. Form.:
C18H19ClN8
Mol. Mass.:
382.85
SMILES:
Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cnc(Cl)nc2)c(N)n1
Structure:
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