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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM585342
Substrate
n/a
Meas. Tech.
TBD
IC50
0.891±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:
BDBM585342
Synonyms:
5-(4-(3-(2-ethylpyrimidin-5- yl)phenyl)piperidin-1- yl)pyrimidine-2,4-diamine | US11530198, Example 94
Type:
Small organic molecule
Emp. Form.:
C21H25N7
Mol. Mass.:
375.4701
SMILES:
CCc1ncc(cn1)-c1cccc(c1)C1CCN(CC1)c1cnc(N)nc1N
Structure:
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