Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM50057316 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_53327 (CHEMBL664913) |
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IC50 | 3400±n/a nM |
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Citation | Gangjee, A; Mavandadi, F; Queener, SF Effect of N9-methylation and bridge atom variation on the activity of 5-substituted 2,4-diaminopyrrolo[2,3-d]pyrimidines against dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii. J Med Chem40:1173-7 (1997) [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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BDBM50057316 |
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n/a |
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Name | BDBM50057316 |
Synonyms: | 5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | 5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | CHEMBL17453 |
Type | Small organic molecule |
Emp. Form. | C16H20N6O2 |
Mol. Mass. | 328.369 |
SMILES | COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 |
Structure |
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