Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate Synthase (TS)
LigandBDBM18762
Substrate/CompetitorBDBM18754
Meas. Tech.Thymidylate Synthase (TS) Assay
Ki 16000±n/a nM
Citation Costi MPGelain ABarlocco DGhelli SSoragni FReniero FRossi TRuberto AGuillou CCavazzuti ACasolari CFerrari S Antibacterial agent discovery using thymidylate synthase biolibrary screening. J Med Chem 49:5958-68 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Thymidylate Synthase (TS)
Name:Thymidylate Synthase (TS)
Synonyms:TSase
Type:Enzyme
Mol. Mass.:35863.57
Organism:Cryptococcus neoformans
Description:n/a
Residue:317
Sequence:
MTATIDDQEKNQRSNPDHEEYQYLDLIRRIINVGEVRPDRTGTGTVALFAPPSFRFSLAD
NTLPLLTTKRVFLRGVIAELLWFVSGCTDAKMLSSQGVGIWDGNGSKEFLEKVGLGHRRE
GDLGPVYGFQWRHFGAEYTDADGDYKGKGVDQLQRVIDTIKNNPTDRRIILSAWNPKDLP
LMALPPCHMFCQFFVSLPPADSPGSKPKLSCLMYQRSCDLGLGVPFNIASYALLTHMIAL
ITDTEPHEFILQMGDAHVYRDHVEPLKTQLEREPRDFPKLKWARSKEEIGDIDGFKVEDF
VVEGYKPWGKIDMKMSA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18762
BDBM18754
NameBDBM18762
Synonyms:1,8-naphthalein derivative, 9 | 4,4-bis(4-hydroxy-3-iodophenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one
TypeSmall organic molecule
Emp. Form.C24H14I2O4
Mol. Mass.620.1745
SMILESOc1ccc(cc1I)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(I)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: