Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate synthase
LigandBDBM50161777
Substrate/Competitorn/a
Meas. Tech.ChEMBL_302802 (CHEMBL838510)
Ki 0.3±n/a nM
Citation Tondi, DVenturelli, AFerrari, SGhelli, SCosti, MP Improving specificity vs bacterial thymidylate synthases through N-dansyl modulation of didansyltyrosine. J Med Chem48:913-6 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase
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:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50161777
n/a
NameBDBM50161777
Synonyms:(S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-2-(6-nitro-naphthalene-1-sulfonylamino)-propionic acid | CHEMBL362606
TypeSmall organic molecule
Emp. Form.C31H27N3O9S2
Mol. Mass.649.691
SMILESCN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(ccc23)[N+]([O-])=O)C(O)=O)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: