Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50021570
Substrate
n/a
Meas. Tech.
ChEMBL_210302 (CHEMBL808547)
Ki
7900±n/a nM
Citation
 Devanesan, PD; Bobst, AM Spin probes as mechanistic inhibitors and active site probes of thymidylate synthetase. J Med Chem 29:1237-42 (1987) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:
Enzyme
Mol. Mass.:
36576.54
Organism:
Lactobacillus casei
Description:
n/a
Residue:
316
Sequence:
MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV
  
Inhibitor
Name:
BDBM50021570
Synonyms:
5-(3-Amino-propenyl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione | CHEMBL3143522
Type:
Small organic molecule
Emp. Form.:
C12H17N3O5
Mol. Mass.:
283.2805
SMILES:
NC\C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Structure:
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