Reaction Details |
| Report a problem with these data |
Target | Thymidylate synthase |
---|
Ligand | BDBM18763 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_209135 (CHEMBL814653) |
---|
Ki | 700±n/a nM |
---|
Citation | Costi, PM; Rinaldi, M; Tondi, D; Pecorari, P; Barlocco, D; Ghelli, S; Stroud, RM; Santi, DV; Stout, TJ; Musiu, C; Marangiu, EM; Pani, A; Congiu, D; Loi, GA; La Colla, P Phthalein derivatives as a new tool for selectivity in thymidylate synthase inhibition. J Med Chem42:2112-24 (1999) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Thymidylate synthase |
---|
Name: | Thymidylate synthase |
Synonyms: | TS | TSase | TYSY_ECOLI | Thymidylate Synthase (TS) | thyA |
Type: | Enzyme |
Mol. Mass.: | 30475.81 |
Organism: | Escherichia coli |
Description: | n/a |
Residue: | 264 |
Sequence: | MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
|
|
|
BDBM18763 |
---|
n/a |
---|
Name | BDBM18763 |
Synonyms: | 1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one | A15 | A156 | Alpha 156 | CHEMBL67116 |
Type | Small organic molecule |
Emp. Form. | C24H14Cl2O4 |
Mol. Mass. | 437.272 |
SMILES | Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1 |
Structure |
|