Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50023906
Substrate
n/a
Meas. Tech.
ChEBML_208960
IC50
3900±n/a nM
Citation
 Brixner, DI; Ueda, T; Cheng, YC; Hynes, JB; Broom, AD Folate analogues as inhibitors of thymidylate synthase. J Med Chem 30:675-8 (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:
BDBM50023906
Synonyms:
2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(10-propargylfolate) | CHEMBL350921
Type:
Small organic molecule
Emp. Form.:
C22H21N7O6
Mol. Mass.:
479.4454
SMILES:
Nc1nc2ncc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
Structure:
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