| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50531791 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1920944 (CHEMBL4423789) |
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| IC50 | 46±n/a nM |
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| Citation |  Hopper, AT; Brockman, A; Wise, A; Gould, J; Barks, J; Radke, JB; Sibley, LD; Zou, Y; Thomas, S Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis. J Med Chem62:1562-1576 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Name: | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Synonyms: | DHFR-TS | DRTS_TOXGO | Dihydrofolate reductase | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; T. gondii vs rat |
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| Type: | Enzyme |
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| Mol. Mass.: | 68757.49 |
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| Organism: | Toxoplasma gondii |
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| Description: | Q07422 |
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| Residue: | 610 |
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| Sequence: | MQKPVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPEEASRLNGWLPRKFAKT
GDSGLPSPSVGKRFNAVVMGRKTWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEG
QQRVRVCASLPAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPC
DVFFPAFPGDDILSNKSTAAQAAAPAESVFVPFCPELGREKDNEATYRPIFISKTFSDNG
VPYDFVVLEKRRKTDDAATAEPSNAMSSLTSTRETTPVHGLQAPSSAAAIAPVLAWMDEE
DRKKREQKELIRAVPHVHFRGHEEFQYLDLIADIINNGRTMDDRTGVGVISKFGCTMRYS
LDQAFPLLTTKRVFWKGVLEELLWFIRGDTNANHLSEKGVKIWDKNVTREFLDSRNLPHR
EVGDIGPGYGFQWRHFGAAYKDMHTDYTGQGVDQLKNVIQMLRTNPTDRRMLMTAWNPAA
LDEMALPPCHLLCQFYVNDQKELSCIMYQRSCDVGLGVPFNIASYSLLTLMVAHVCNLKP
KEFIHFMGNTHVYTNHVEALKEQLRREPRPFPIVNILNKERIKEIDDFTAEDFEVVGYVP
HGRIQMEMAV
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| BDBM50531791 |
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| n/a |
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| Name | BDBM50531791 |
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| Synonyms: | CHEMBL4456834 | US11530198, Example 6 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H17ClN6 |
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| Mol. Mass. | 304.778 |
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| SMILES | Nc1ncc(N2CCN(CC2)c2ccc(Cl)cc2)c(N)n1 |
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| Structure | 
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