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Target
Thymidylate synthase
Ligand
BDBM50029547
Substrate
n/a
Meas. Tech.
ChEMBL_209616 (CHEMBL817510)
IC50
42±n/a nM
Citation
 Gangjee, A; Devraj, R; McGuire, JJ; Kisliuk, RL 5-Arylthio-substituted 2-amino-4-oxo-6-methylpyrrolo[2,3-d]pyrimidine antifolates as thymidylate synthase inhibitors and antitumor agents. J Med Chem 38:4495-502 (1995) [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:
BDBM50029547
Synonyms:
2-[4-(2-Amino-6-methyl-4-oxo-4,4a,7,7a-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylsulfanyl)-benzoylamino]-pentanedioic acid | CHEMBL336487
Type:
Small organic molecule
Emp. Form.:
C19H21N5O6S
Mol. Mass.:
447.465
SMILES:
CC1=NC2N=C(N)NC(=O)C2C1Sc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:1,4|
Structure:
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