Target
Thymidylate synthase
Ligand
BDBM50011325
Substrate
n/a
Meas. Tech.
ChEMBL_209476 (CHEMBL872636)
IC50
>200000±n/a nM
Citation
 Gangjee, ADonkor, IOKisliuk, RLGaumont, YThorndike, J Synthesis and biological activity of 5,11-methylenetetrahydro-5- deazahomofolic acid. J Med Chem 34:611-6 (1991) [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:
BDBM50011325
Synonyms:
2-[4-(2-Amino-4-oxo-4,4b,5,7,8,8a,9,10-octahydro-3H-1,3,6,10-tetraaza-phenanthren-6-yl)-benzoylamino]-pentanedioic acid | CHEMBL158034
Type:
Small organic molecule
Emp. Form.:
C22H26N6O6
Mol. Mass.:
470.4784
SMILES:
Nc1nc2NCC3CCN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Structure:
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