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Target
Thymidylate synthase
Ligand
BDBM50005328
Substrate
n/a
Meas. Tech.
ChEBML_209652
Ki
7700±n/a nM
Citation
 Reich, SH; Fuhry, MA; Nguyen, D; Pino, MJ; Welsh, KM; Webber, S; Janson, CA; Jordan, SR; Matthews, DA; Smith, WW Design and synthesis of novel 6,7-imidazotetrahydroquinoline inhibitors of thymidylate synthase using iterative protein crystal structure analysis. J Med Chem 35:847-58 (1992) [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:
BDBM50005328
Synonyms:
5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinoline | 5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetrahydro-3H-imidazo[4,5-g]quinoline | CHEMBL353700
Type:
Small organic molecule
Emp. Form.:
C21H25N5O2S
Mol. Mass.:
411.521
SMILES:
O=S(=O)(N1CCNCC1)c1ccc(CN2CCCc3cc4nc[nH]c4cc23)cc1
Structure:
Search PDB for entries with ligand similarity: