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Target
Thymidylate synthase
Ligand
BDBM50288821
Substrate
n/a
Meas. Tech.
ChEBML_209647
Ki
>5000±n/a nM
Citation
 Gossett, LS; Habeck, LL; Gates, SB; Andis, SL; Worzalla, JF; Schultz, RM; Mendelsonn, LG; Kohler, W; Ratnam, M; Grindey, GB; Shih, C Synthesis and biological evaluation of a new series of dihydrofolate reductase inhibitors based on the 4-(2,6-diamino-5-pyrimidinyl)alkyl-L-glutamic acid structure Bioorg Med Chem Lett 6:473-476 (1996)    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:
BDBM50288821
Synonyms:
(S)-2-{(S)-4-[3-(2,4-Diamino-pyrimidin-5-yl)-propyl]-benzoylamino}-pentanedioic acid | CHEMBL443763 | LY-316373
Type:
Small organic molecule
Emp. Form.:
C19H23N5O5
Mol. Mass.:
401.4164
SMILES:
Nc1ncc(CCCc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(N)n1
Structure:
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