| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM18251 |
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| Substrate/Competitor | BDBM18044 |
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| Meas. Tech. | Dihydrofolate Reductase (DHFR) Assay |
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| IC50 | 500±n/a nM |
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| Citation |  Gangjee, A; Zeng, Y; Talreja, T; McGuire, JJ; Kisliuk, RL; Queener, SF Design and Synthesis of Classical and Nonclassical 6-Arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as Antifolates. J Med Chem50:3046-3053 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, 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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| BDBM18251 |
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| BDBM18044 |
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| Name | BDBM18251 |
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| Synonyms: | 6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | Pyrrolo[2, 3-d]pyrimidine analogue, 7 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H14ClN5S |
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| Mol. Mass. | 319.812 |
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| SMILES | CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 |
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| Structure | 
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