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Target
Thymidylate synthase
Ligand
BDBM50005203
Substrate
n/a
Meas. Tech.
ChEBML_208949
Ki
1500±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:
BDBM50005203
Synonyms:
(4-Benzenesulfonyl-benzyl)-(2-imino-1-methyl-1,2-dihydro-benzo[cd]indol-6-yl)-methyl-amine | CHEMBL275685 | N*6*-(4-Benzenesulfonyl-benzyl)-N*6*-methyl-benzo[cd]indole-2,6-diamine
Type:
Small organic molecule
Emp. Form.:
C25H21N3O2S
Mol. Mass.:
427.518
SMILES:
CN(Cc1ccc(cc1)S(=O)(=O)c1ccccc1)c1ccc2N=C(N)c3cccc1c23 |t:24|
Structure:
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