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TargetThymidylate Synthase (TS)
LigandBDBM18770
Substrate/CompetitorBDBM18754
Meas. Tech.Thymidylate Synthase (TS) Assay
Ki 6500±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
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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
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  Blast E-value cutoff:
BDBM18770
BDBM18754
NameBDBM18770
Synonyms:1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(3-fluoro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one | Phenolnaphthalein derivative, 3
TypeSmall organic molecule
Emp. Form.C24H13ClF2O4
Mol. Mass.438.807
SMILESOc1ccc(cc1F)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(F)c1
Structure
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