| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Thymidylate synthase |
|---|
| Ligand | BDBM50011243 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEBML_210160 |
|---|
| IC50 | 160±n/a nM |
|---|
| Citation |  Jones, TR; Thornton, TJ; Flinn, A; Jackman, AL; Newell, DR; Calvert, AH Quinazoline antifolates inhibiting thymidylate synthase: 2-desamino derivatives with enhanced solubility and potency. J Med Chem32:847-52 (1989) [PubMed] |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Thymidylate synthase |
|---|
| Name: | Thymidylate synthase |
|---|
| Synonyms: | TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 36576.54 |
|---|
| Organism: | Lactobacillus casei |
|---|
| Description: | n/a |
|---|
| Residue: | 316 |
|---|
| Sequence: | MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE
LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE
EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL
IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV
AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK
LLNYDPYPAIKAPVAV
|
|
|
|---|
| BDBM50011243 |
|---|
| n/a |
|---|
| Name | BDBM50011243 |
|---|
| Synonyms: | 2-{4-[(4-Hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL171480 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H22N4O6 |
|---|
| Mol. Mass. | 462.4547 |
|---|
| SMILES | OC(=O)CCC(NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O |
|---|
| Structure | 
|
|---|
Search and Browse
