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Target
Thymidylate synthase
Ligand
BDBM36686
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
>1.327e+6±n/a nM
Citation
 Calò, S; Tondi, D; Ferrari, S; Venturelli, A; Ghelli, S; Costi, MP Constrained dansyl derivatives reveal bacterial specificity of highly conserved thymidylate synthases. Chembiochem 9:779-90 (2008) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_ECOLI | Thymidylate Synthase (TS) | thyA
Type:
Enzyme
Mol. Mass.:
30475.81
Organism:
Escherichia coli
Description:
n/a
Residue:
264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
Inhibitor
Name:
BDBM36686
Synonyms:
Dansyl derivative, 9L | Dansyltyrosine deriviative 3B
Type:
Small organic molecule
Emp. Form.:
C25H22Br2N2O7S3
Mol. Mass.:
718.454
SMILES:
CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Br)c(Br)s2)C(O)=O)cc1 |r|
Structure:
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