| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Thymidylate synthase |
|---|
| Ligand | BDBM50088164 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_209985 (CHEMBL821413) |
|---|
| Ki | 0.78±n/a nM |
|---|
| Citation |  Bavetsias, V; Marriott, JH; Melin, C; Kimbell, R; Matusiak, ZS; Boyle, FT; Jackman, AL Design and synthesis of Cyclopenta[g]quinazoline-based antifolates as inhibitors of thymidylate synthase and potential antitumor agents(,). J Med Chem43:1910-26 (2000) [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
|
|
|
|---|
| BDBM50088164 |
|---|
| n/a |
|---|
| Name | BDBM50088164 |
|---|
| Synonyms: | (S)-2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-5-(1H-[1,2,4]triazole-3-sulfonyl)-pentanoic acid | 2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-5-(1H-[1,2,4]triazole-3-sulfonyl)-pentanoic acid | CHEMBL55437 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C29H29N7O6S |
|---|
| Mol. Mass. | 603.649 |
|---|
| SMILES | Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1 |
|---|
| Structure | 
|
|---|
Search and Browse
