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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM18512
Substrate
n/a
Meas. Tech.
TBD
IC50
407±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:
BDBM18512
Synonyms:
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CHEMBL36 | Pyrimethamine (Pyr) | US11530198, Example Pyrimethamine | cid_4993
Type:
Small organic molecule
Emp. Form.:
C12H13ClN4
Mol. Mass.:
248.711
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Structure:
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