Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate Synthase (TS)
LigandBDBM18771
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
pH7±0
Temperature293.15±0 K
Ki 2.4e+2± 0 nM
Citation Ferrari SCosti PMWade RC Inhibitor specificity via protein dynamics: insights from the design of antibacterial agents targeted against thymidylate synthase. Chem Biol 10:1183-93 (2003) [PubMed]
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.:34362.44
Organism:Pneumocystis carinii
Description:n/a
Residue:297
Sequence:
MVNAEEQQYLNLVQYIINHGEDRPDRTGTGTLSVFAPSPLKFSLRNKTFPLLTTKRVFIR
GVIEELLWFIRGETDSLKLREKNIHIWDANGSREYLDSIGLTKRQEGDLGPIYGFQWRHF
GAEYIDCKTNYIGQGVDQLANIIQKIRTSPYDRRLILSAWNPADLEKMALPPCHMFCQFY
VHIPSNNHRPELSCQLYQRSCDMGLGVPFNIASYALLTCMIAHVCDLDPGDFIHVMGDCH
IYKDHIEALQQQLTRSPRPFPTLSLNRSITDIEDFTLDDFNIQNYHPYETIKMKMSI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18771
n/a
NameBDBM18771
Synonyms:(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid | CB3717 | CHEMBL389051 | PDDF
TypeSmall organic molecule
Emp. Form.C24H23N5O6
Mol. Mass.477.4693
SMILESNc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: