Target
Thymidylate synthase
Ligand
BDBM50016789
Substrate
n/a
Meas. Tech.
ChEMBL_1357879 (CHEMBL3285766)
IC50
1000±n/a nM
Citation
 Chaykovsky, MHirst, MLazarus, HMartinelli, JE Methotrexate analogues. 9. Synthesis and biological properties of some 8-alkyl-7,8-dihydro analogues. J Med Chem 20:1323-7 (1977) [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:
BDBM50016789
Synonyms:
CHEMBL3273846
Type:
Small organic molecule
Emp. Form.:
C20H24N8O5
Mol. Mass.:
456.4552
SMILES:
CN(CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r,t:3|
Structure:
Search PDB for entries with ligand similarity: