Reaction Details |
| Report a problem with these data |
Target | Thymidylate synthase |
---|
Ligand | BDBM50081246 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_209961 (CHEMBL820617) |
---|
IC50 | 1.4±n/a nM |
---|
Citation | Marsham, PR; Wardleworth, JM; Boyle, FT; Hennequin, LF; Kimbell, R; Brown, M; Jackman, AL Design and synthesis of potent non-polyglutamatable quinazoline antifolate thymidylate synthase inhibitors. J Med Chem42:3809-20 (1999) [PubMed] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Thymidylate synthase |
---|
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
|
|
|
BDBM50081246 |
---|
n/a |
---|
Name | BDBM50081246 |
Synonyms: | (S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-heptanedioic acid | CHEMBL439975 |
Type | Small organic molecule |
Emp. Form. | C28H29FN4O6 |
Mol. Mass. | 536.5515 |
SMILES | Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCCCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |
Structure |
|