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Target
Thymidylate synthase
Ligand
BDBM50028109
Substrate
n/a
Meas. Tech.
ChEMBL_209774 (CHEMBL815564)
Ki
120000±n/a nM
Citation
 Srinivasan, A; Amarnath, V; Broom, AD; Zou, FC; Cheng, YC A potent multisubstrate analogue inhibitor of human thymidylate synthetase. J Med Chem 27:1710-7 (1985) [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:
BDBM50028109
Synonyms:
2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-phosphoryloxymethyl)-tetrahydro-furan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl}-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL3144213 | CID44292651 | thvmidvlate svnthase inhibitor 2c
Type:
Small organic molecule
Emp. Form.:
C31H39N8O14P
Mol. Mass.:
778.6603
SMILES:
COP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CN2C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCc3nc(N)[nH]c(=O)c23)c(=O)[nH]c1=O |r|
Structure:
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