Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50010233
Substrate
n/a
Meas. Tech.
ChEMBL_1341017 (CHEMBL3254996)
IC50
190000±n/a nM
Citation
 Martinelli, JE; Chaykovsky, M; Kisliuk, RL; Gaumont, Y; Gittelman, MC Methotrexate analogues. 12. Synthesis and biological properties of some aza homologues. J Med Chem 22:869-74 (1979) [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:
BDBM50010233
Synonyms:
CHEMBL3245588
Type:
Small organic molecule
Emp. Form.:
C19H21N9O5
Mol. Mass.:
455.4273
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(NC(=O)NC(CC(O)=O)C(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: