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Target
Thymidylate synthase
Ligand
BDBM50022240
Substrate
n/a
Meas. Tech.
ChEBML_209106
IC50
>500000±n/a nM
Citation
 DeGraw, JI; Colwell, WT; Kisliuk, RL; Gaumont, Y; Sirotnak, FM Synthesis and antifolate properties of 5,10-methylenetetrahydro-8,10-dideazaminopterin. J Med Chem 29:1786-9 (1986) [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:
BDBM50022240
Synonyms:
2-[4-(7,9-Diamino-1,2,3,3a,4,5-hexahydro-6,8,9b-triaza-cyclopenta[a]naphthalen-2-yl)-benzoylamino]-pentanedioic acid | CHEMBL49022
Type:
Small organic molecule
Emp. Form.:
C22H26N6O5
Mol. Mass.:
454.479
SMILES:
Nc1nc(N)c2N3CC(CC3CCc2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Structure:
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