| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50100259 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_53334 (CHEMBL664920) |
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| IC50 | 10300±n/a nM |
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| Citation |  Gangjee, A; Vidwans, A; Elzein, E; McGuire, JJ; Queener, SF; Kisliuk, RL Synthesis, antifolate, and antitumor activities of classical and nonclassical 2-amino-4-oxo-5-substituted-pyrrolo[2,3-d]pyrimidines. J Med Chem44:1993-2003 (2001) [PubMed] |
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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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| BDBM50100259 |
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| n/a |
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| Name | BDBM50100259 |
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| Synonyms: | 2-Amino-5-{[(2,5-dimethoxy-phenyl)-methyl-amino]-methyl}-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one | CHEMBL61927 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H19N5O3 |
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| Mol. Mass. | 329.3538 |
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| SMILES | COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)[nH]c(=O)c12 |
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| Structure | 
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