Reaction Details |
| Report a problem with these data |
Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
---|
Ligand | BDBM20683 |
---|
Substrate/Competitor | BDBM18044 |
---|
Meas. Tech. | Thymidylate Synthase (TS) Assay |
---|
IC50 | 3500±n/a nM |
---|
Citation | Gangjee, A; Li, W; Yang, J; Kisliuk, RL Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. J Med Chem51:68-76 (2008) [PubMed] Article |
---|
More Info.: | Get all data from this article, Solution Info, Assay Method |
---|
|
Bifunctional dihydrofolate reductase-thymidylate synthase |
---|
Name: | Bifunctional dihydrofolate reductase-thymidylate synthase |
Synonyms: | DHFR-TS | DRTS_TOXGO | Dihydrofolate reductase | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; T. gondii vs rat |
Type: | Enzyme |
Mol. Mass.: | 68757.49 |
Organism: | Toxoplasma gondii |
Description: | Q07422 |
Residue: | 610 |
Sequence: | MQKPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKT
GDSGLPSPSVGKRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEG
QQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPC
DVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNG
VPYDFVVLEKRRKTDDAATAEPSNAMSSLTSTRETTPVHGLQAPSSAAAIAPVLAWMDEE
DRKKREQKELIRAVPHVHFRGHEEFQYLDLIADIINNGRTMDDRTGVGVISKFGCTMRYS
LDQAFPLLTTKRVFWKGVLEELLWFIRGDTNANHLSEKGVKIWDKNVTREFLDSRNLPHR
EVGDIGPGYGFQWRHFGAAYKDMHTDYTGQGVDQLKNVIQMLRTNPTDRRMLMTAWNPAA
LDEMALPPCHLLCQFYVNDQKELSCIMYQRSCDVGLGVPFNIASYSLLTLMVAHVCNLKP
KEFIHFMGNTHVYTNHVEALKEQLRREPRPFPIVNILNKERIKEIDDFTAEDFEVVGYVP
HGRIQMEMAV
|
|
|
BDBM20683 |
---|
BDBM18044 |
---|
Name | BDBM20683 |
Synonyms: | 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one | Pyrrolo[3,2-d]pyrimidine analogue, 11 |
Type | Small organic molecule |
Emp. Form. | C15H16N4O2 |
Mol. Mass. | 284.3131 |
SMILES | COc1ccc(Cn2c(C)cc3nc(N)[nH]c(=O)c23)cc1 |
Structure |
|