| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Thymidylate synthase |
|---|
| Ligand | BDBM50012240 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEBML_209778 |
|---|
| Ki | 69.0±n/a nM |
|---|
| Citation |  Appelt, K; Bacquet, RJ; Bartlett, CA; Booth, CL; Freer, ST; Fuhry, MA; Gehring, MR; Herrmann, SM; Howland, EF; Janson, CA Design of enzyme inhibitors using iterative protein crystallographic analysis. J Med Chem34:1925-34 (1991) [PubMed] |
|---|
| 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
|
|
|
|---|
| BDBM50012240 |
|---|
| n/a |
|---|
| Name | BDBM50012240 |
|---|
| Synonyms: | 6-({[4-(Indole-1-sulfonyl)-phenyl]-prop-2-ynyl-amino}-methyl)-2-methyl-3H-quinazolin-4-one | CHEMBL299928 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H22N4O3S |
|---|
| Mol. Mass. | 482.554 |
|---|
| SMILES | Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)(=O)n3ccc4ccccc34)cc2c(=O)[nH]1 |
|---|
| Structure | 
|
|---|
Search and Browse
