| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Thymidylate synthase |
|---|
| Ligand | BDBM50288985 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_209800 (CHEMBL815666) |
|---|
| IC50 | 1±n/a nM |
|---|
| Citation |  Bavetsias, V; Jackman, AL; Kimbell, R; Boyle, FT; Bisset, GM Carboxylic acid bioisosteres of γ-linked dipeptide analogues of the folate-based thymidylate synthase (TS) inhibitor, 2-desamino-2-methyl-N10-propargyl-5,8-dideazafolic acid (ICI 198583) Bioorg Med Chem Lett6:631-636 (1996) Article |
|---|
| 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
|
|
|
|---|
| BDBM50288985 |
|---|
| n/a |
|---|
| Name | BDBM50288985 |
|---|
| Synonyms: | (S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-4-[(S)-1-(1H-tetrazol-5-yl)-ethylcarbamoyl]-butyric acid | CHEMBL157025 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C29H30FN9O5 |
|---|
| Mol. Mass. | 603.6042 |
|---|
| SMILES | C[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O)C(O)=O)c1nnn[nH]1 |
|---|
| Structure | 
|
|---|
Search and Browse
