Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50005202 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_209778 |
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Ki | 770.0±n/a nM |
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Citation | Appelt, K; Bacquet, RJ; Bartlett, CA; Booth, CL; Freer, ST; Fuhry, MA; Gehring, MR; Herrmann, SM; Howland, EF; Janson, CA Design of enzyme inhibitors using iterative protein crystallographic analysis. J Med Chem34:1925-34 (1991) [PubMed] |
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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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BDBM50005202 |
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n/a |
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Name | BDBM50005202 |
Synonyms: | 6-[(4-Benzenesulfonyl-benzyl)-methyl-amino]-1-methyl-1H-benzo[cd]indol-2-one | 6-[(4-Benzenesulfonyl-benzyl)-methyl-amino]-1H-benzo[cd]indol-2-one | CHEMBL301844 |
Type | Small organic molecule |
Emp. Form. | C25H20N2O3S |
Mol. Mass. | 428.503 |
SMILES | CN(Cc1ccc(cc1)S(=O)(=O)c1ccccc1)c1ccc2NC(=O)c3cccc1c23 |
Structure |
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