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Target
Thymidylate synthase
Ligand
BDBM50024473
Substrate
n/a
Meas. Tech.
ChEBML_209107
IC50
23000±n/a nM
Citation
 Nair, MG; Dhawan, R; Ghazala, M; Kalman, TI; Ferone, R; Gaumont, Y; Kisliuk, RL Folate analogues. 30. Synthesis and biological evaluation of N10-propargyl-5,8-dideaza-5,6,7,8-tetrahydrofolic acid and related compounds. J Med Chem 30:1256-61 (1987) [PubMed]
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:
BDBM50024473
Synonyms:
2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid (H4-PDDF) | CHEMBL22793
Type:
Small organic molecule
Emp. Form.:
C24H27N5O6
Mol. Mass.:
481.5011
SMILES:
Nc1nc2CCC(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Structure:
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