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Target
Thymidylate synthase
Ligand
BDBM50005328
Substrate
n/a
Meas. Tech.
ChEBML_208949
Ki
4900±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 | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:
n/a
Mol. Mass.:
30487.86
Organism:
Escherichia coli
Description:
n/a
Residue:
264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
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:
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