Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50014707
Substrate
n/a
Meas. Tech.
ChEBML_209294
IC50
>100000±n/a nM
Citation
 DeGraw, JI; Christie, PH; Kisliuk, RL; Gaumont, Y; Sirotnak, FM Synthesis and antifolate properties of 9-alkyl-10-deazaminopterins. J Med Chem 33:212-5 (1990) [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:
BDBM50014707
Synonyms:
2-{4-[2-(2,4-Diamino-pteridin-6-yl)-propyl]-benzoylamino}-pentanedioic acid | CHEMBL431359
Type:
Small organic molecule
Emp. Form.:
C21H23N7O5
Mol. Mass.:
453.4512
SMILES:
CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Structure:
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