Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate synthase
LigandBDBM18758
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
pH7±0
Temperature293.15±0 K
Ki 9e+2±n/a nM
Citation Ferrari, SCosti, PMWade, RC Inhibitor specificity via protein dynamics: insights from the design of antibacterial agents targeted against thymidylate synthase. Chem Biol10:1183-93 (2003) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Thymidylate synthase
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:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18758
n/a
NameBDBM18758
Synonyms:1,2-naphthalein derivative, 4 | 3,3-bis(3-bromo-4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7,10,12-pentaen-5-one | Phenolnaphthalein derivative, 4
TypeSmall organic molecule
Emp. Form.C24H14Br2O4
Mol. Mass.526.174
SMILESOc1ccc(cc1Br)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)c(Br)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: