Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM50057311 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_305629 (CHEMBL828662) |
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IC50 | 2600±n/a nM |
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Citation | Gangjee, A; Lin, X CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase. J Med Chem48:1448-69 (2005) [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 |
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
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BDBM50057311 |
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n/a |
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Name | BDBM50057311 |
Synonyms: | 5-((3,4-dimethoxyphenylthio)methyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | 5-(3,4-Dimethoxy-phenylsulfanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | CHEMBL17431 |
Type | Small organic molecule |
Emp. Form. | C15H17N5O2S |
Mol. Mass. | 331.393 |
SMILES | COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC |
Structure |
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