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Target
Thymidylate synthase
Ligand
BDBM50005323
Substrate
n/a
Meas. Tech.
ChEBML_208949
Ki
140±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:
BDBM50005323
Synonyms:
5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinolin-2-ylamine | 5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetrahydro-3H-imidazo[4,5-g]quinolin-2-ylamine | CHEMBL56662
Type:
Small organic molecule
Emp. Form.:
C21H26N6O2S
Mol. Mass.:
426.535
SMILES:
Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCNCC4)c3cc2[nH]1
Structure:
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