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Target
Thymidylate synthase
Ligand
BDBM50023905
Substrate
n/a
Meas. Tech.
ChEMBL_209775 (CHEMBL815565)
Ki
1000±n/a nM
Citation
 Brixner, DI; Ueda, T; Cheng, YC; Hynes, JB; Broom, AD Folate analogues as inhibitors of thymidylate synthase. J Med Chem 30:675-8 (1987) [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:
BDBM50023905
Synonyms:
2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(10-methylfolate) | CHEMBL158990 | METHOPTERINE
Type:
Small organic molecule
Emp. Form.:
C20H21N7O6
Mol. Mass.:
455.424
SMILES:
CN(Cc1cnc2nc(N)[nH]c(=O)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
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