| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Thymidylate synthase |
|---|
| Ligand | BDBM50005210 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_209651 (CHEMBL811592) |
|---|
| Ki | 2±n/a nM |
|---|
| Citation |  Greer, J; Erickson, JW; Baldwin, JJ; Varney, MD Application of the three-dimensional structures of protein target molecules in structure-based drug design. J Med Chem37:1035-54 (1994) [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
|
|
|
|---|
| BDBM50005210 |
|---|
| n/a |
|---|
| Name | BDBM50005210 |
|---|
| Synonyms: | (2-Imino-1-methyl-1,2-dihydro-benzo[cd]indol-6-yl)-methyl-[4-(morpholine-4-sulfonyl)-benzyl]-amine; 0.5C6H6 | AG-331 | CHEMBL9440 | N*6*-Methyl-N*6*-[4-(morpholine-4-sulfonyl)-benzyl]-benzo[cd]indole-2,6-diamine |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C23H24N4O3S |
|---|
| Mol. Mass. | 436.527 |
|---|
| SMILES | CN(Cc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc2N=C(N)c3cccc1c23 |t:24| |
|---|
| Structure | 
|
|---|
Search and Browse
