Target
Thymidylate synthase
Ligand
BDBM50161778
Substrate
n/a
Meas. Tech.
ChEMBL_302477 (CHEMBL875209)
Ki
1.5±n/a nM
Citation
 Tondi, DVenturelli, AFerrari, SGhelli, SCosti, MP Improving specificity vs bacterial thymidylate synthases through N-dansyl modulation of didansyltyrosine. J Med Chem 48:913-6 (2005) [PubMed]  Article 
Target
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:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50161778
Synonyms:
(S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-2-(1-oxa-2,3-diaza-cyclopenta[a]naphthalene-5-sulfonylamino)-propionic acid | CHEMBL179448 | Dansyltyrosine deriviative 33B
Type:
Small organic molecule
Emp. Form.:
C31H26N4O8S2
Mol. Mass.:
646.69
SMILES:
CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc3nnoc3c3ccccc23)C(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: