Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50161778 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_302477 (CHEMBL875209) |
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Ki | 1.5±n/a nM |
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Citation | Tondi, D; Venturelli, A; Ferrari, S; Ghelli, S; Costi, MP Improving specificity vs bacterial thymidylate synthases through N-dansyl modulation of didansyltyrosine. J Med Chem48:913-6 (2005) [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 |
Synonyms: | TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
Type: | Enzyme |
Mol. Mass.: | 35718.07 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 313 |
Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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BDBM50161778 |
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n/a |
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Name | BDBM50161778 |
Synonyms: | (S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-2-(1-oxa-2,3-diaza-cyclopenta[a]naphthalene-5-sulfonylamino)-propionic acid | CHEMBL179448 | Dansyltyrosine deriviative 33B |
Type | Small organic molecule |
Emp. Form. | C31H26N4O8S2 |
Mol. Mass. | 646.69 |
SMILES | CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc3nnoc3c3ccccc23)C(O)=O)cc1 |
Structure |
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