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Target
Thymidylate synthase
Ligand
BDBM50005330
Substrate
n/a
Meas. Tech.
ChEBML_209778
Ki
31±n/a nM
Citation
 Appelt, K; Bacquet, RJ; Bartlett, CA; Booth, CL; Freer, ST; Fuhry, MA; Gehring, MR; Herrmann, SM; Howland, EF; Janson, CA Design of enzyme inhibitors using iterative protein crystallographic analysis. J Med Chem 34:1925-34 (1991) [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:
BDBM50005330
Synonyms:
5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinolin-2-ylamine | 5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-3H-imidazo[4,5-g]quinolin-2-ylamine | CHEMBL301256
Type:
Small organic molecule
Emp. Form.:
C23H22N4O2S
Mol. Mass.:
418.511
SMILES:
Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1
Structure:
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