Reaction Details |
| Report a problem with these data |
Target | Thymidylate synthase |
---|
Ligand | BDBM50161779 |
---|
Substrate/Competitor | BDBM50028108 |
---|
Meas. Tech. | Inhibition Assay |
---|
IC50 | 5.0e+3±n/a nM |
---|
Citation | Fritz, TA; Tondi, D; Finer-Moore, JS; Costi, MP; Stroud, RM Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase. Chem Biol8:981-95 (2001) [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
|
|
|
BDBM50161779 |
---|
BDBM50028108 |
---|
Name | BDBM50161779 |
Synonyms: | (S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino)-3-[4-(5-dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-propionic acid | CHEMBL176072 | Dansyl derivative, DDT, 1L | Dansyl derivatives 18A, (R) isomer | Dansyltyrosine deriviative 21B | N,O-DIDANSYL-L-TYROSINE | N,O-diansyl-L-tyrosine |
Type | Small organic molecule |
Emp. Form. | C33H33N3O7S2 |
Mol. Mass. | 647.761 |
SMILES | CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |
Structure |
|