Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50003058
Substrate
n/a
Meas. Tech.
ChEBML_209105
IC50
>100000±n/a nM
Citation
 Gangjee, A; Patel, J; Kisliuk, RL; Gaumont, Y 5,10-Methylenetetrahydro-5-deazafolic acid and analogues: synthesis and biological activities. J Med Chem 35:3678-85 (1992) [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:
BDBM50003058
Synonyms:
2-[4-(7-Amino-9-oxo-8,9-dihydro-2,5,6,8-tetraaza-cyclopenta[a]naphthalen-2-yl)-benzoylamino]-pentanedioic acid | CHEMBL331208
Type:
Small organic molecule
Emp. Form.:
C21H18N6O6
Mol. Mass.:
450.4042
SMILES:
Nc1nc(O)c2c3cn(cc3cnc2n1)-c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Structure:
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