| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Thymidylate synthase |
|---|
| Ligand | BDBM50399277 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_877077 (CHEMBL2186813) |
|---|
| Ki | 2500±n/a nM |
|---|
| Citation |  Carosati, E; Tochowicz, A; Marverti, G; Guaitoli, G; Benedetti, P; Ferrari, S; Stroud, RM; Finer-Moore, J; Luciani, R; Farina, D; Cruciani, G; Costi, MP Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase. J Med Chem55:10272-6 (2012) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Thymidylate synthase |
|---|
| 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
|
|
|
|---|
| BDBM50399277 |
|---|
| n/a |
|---|
| Name | BDBM50399277 |
|---|
| Synonyms: | CHEMBL2180553 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H15F3N4O3S |
|---|
| Mol. Mass. | 436.408 |
|---|
| SMILES | Oc1nc(N=NCc2ccccc2O)sc1CC(=O)Nc1cccc(c1)C(F)(F)F |w:5.5| |
|---|
| Structure | 
|
|---|
Search and Browse
