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Target
Thymidylate synthase
Ligand
BDBM50003059
Substrate
n/a
Meas. Tech.
ChEBML_209480
IC50
>40000±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:
TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase
Type:
Enzyme
Mol. Mass.:
35718.07
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50003059
Synonyms:
2-[4-(7-Amino-9-oxo-1,3,3a,4,5,8,9,9b-octahydro-2,5,6,8-tetraaza-cyclopenta[a]naphthalen-2-yl)-benzoylamino]-pentanedioic acid | CHEMBL123231
Type:
Small organic molecule
Emp. Form.:
C21H24N6O6
Mol. Mass.:
456.4519
SMILES:
Nc1nc2NCC3CN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Structure:
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