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Target
Thymidylate synthase
Ligand
BDBM50073753
Substrate
n/a
Meas. Tech.
ChEMBL_209656 (CHEMBL811596)
Ki
>5000±n/a nM
Citation
 Gossett, LS; Habeck, LL; Shackelford, KA; Mendelsohn, LG; Gates, SB; Worzalla, JF; Self, TD; Theobald, KS; Andis, SL; Schultz, RM; Shih, C The synthesis and biological activity of a series of 2,4-diaminopyrido[2,3-d]pyrimidine based antifolates as antineoplastic and antiarthritic agents. Bioorg Med Chem Lett 9:75-8 (1999) [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:
BDBM50073753
Synonyms:
(R)-2-({5-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-furan-2-carbonyl}-amino)-2-methyl-pentanedioic acid | CHEMBL167304 | LY-335738
Type:
Small organic molecule
Emp. Form.:
C20H26N6O6
Mol. Mass.:
446.457
SMILES:
C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)o1)C(O)=O
Structure:
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