Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50531783
Substrate
n/a
Meas. Tech.
TBD
IC50
7.41±n/a nM
Citation
 Thomas, SBHopper, ATWelsch, 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:
BDBM50531783
Synonyms:
CHEMBL4591892 | US11530198, Example 87
Type:
Small organic molecule
Emp. Form.:
C19H19F3N8
Mol. Mass.:
416.403
SMILES:
Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cnc(nc2)C(F)(F)F)c(N)n1
Structure:
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