| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50030819 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_430600 (CHEMBL918702) |
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| IC50 | 220000±n/a nM |
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| Citation |  Gangjee, A; Zeng, Y; McGuire, JJ; Mehraein, F; Kisliuk, RL Synthesis of classical, three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogues as antifolates. J Med Chem47:6893-901 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Thymidylate synthase |
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| Name: | Thymidylate synthase |
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| Synonyms: | TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 35718.07 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 313 |
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| Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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| BDBM50030819 |
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| n/a |
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| Name | BDBM50030819 |
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| Synonyms: | (S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid | (S)-2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid | (S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-propyl]-benzoylamino}-pentanedioic acid | 2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid | CHEMBL323565 | N-[4-[2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid |
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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 | Nc1nc(N)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1 |
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| Structure | 
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