Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50008291 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_209956 |
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IC50 | 750000±n/a nM |
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Citation | Ghazala, M; Nair, MG; Toghiyani, TR; Kisliuk, RL; Gaumont, Y; Kalman, TI Folate analogues. 25. Synthesis and biological evaluation of N10-propargylfolic acid and its reduced derivatives. J Med Chem29:1263-9 (1987) [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 | TYSY_MOUSE | Tyms |
Type: | PROTEIN |
Mol. Mass.: | 34957.15 |
Organism: | Mus musculus |
Description: | ChEMBL_1340097 |
Residue: | 307 |
Sequence: | MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYS
LRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSAR
QEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKD
LPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPG
DFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPT
IKMEMAV
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BDBM50008291 |
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n/a |
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Name | BDBM50008291 |
Synonyms: | 2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL280145 |
Type | Small organic molecule |
Emp. Form. | C22H21N7O6 |
Mol. Mass. | 479.4454 |
SMILES | Nc1nc2ncc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 |
Structure |
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