| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM18796 |
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| Substrate/Competitor | BDBM18754 |
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| Meas. Tech. | Thymidylate Synthase (TS) Assay |
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| IC50 | 2800±n/a nM |
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| Citation |  Gangjee, A; Li, W; Kisliuk, RL; Cody, V; Pace, J; Piraino, J; Makin, J Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents. J Med Chem52:4892-902 (2009) [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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| BDBM18796 |
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| BDBM18754 |
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| Name | BDBM18796 |
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| Synonyms: | (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid | LY231514 | Pemetrexed |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21N5O6 |
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| Mol. Mass. | 427.4106 |
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| SMILES | Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| |
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| Structure | 
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