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Target
Thymidylate synthase
Ligand
BDBM84603
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
1.31e+5±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:
BDBM84603
Synonyms:
Dansyl derivative, 6R
Type:
Small organic molecule
Emp. Form.:
C32H36N2O8S2
Mol. Mass.:
640.767
SMILES:
CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc2C[C@H](N(Cc2c1)S(=O)(=O)CC12CCC(C(=O)C1)C2(C)C)C(O)=O |r,TLB:36:35:32.33:38|
Structure:
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