Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50006905
Substrate
n/a
Meas. Tech.
ChEBML_209976
Ki
28000±n/a nM
Citation
 Rosowsky, A; Forsch, RA; Moran, RG N-[4-[[(3,4-dihydro-4-oxo-1,2,3-benzotriazin-6- yl)methyl]amino]benzoyl]-L-glutamic acid, a novel A-ring analogue of 2-desamino-5,8-dideazafolic acid. J Med Chem 35:2626-30 (1992) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mus musculus
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50006905
Synonyms:
2-{4-[(4-Oxo-3,4-dihydro-benzo[d][1,2,3]triazin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL316019
Type:
Small organic molecule
Emp. Form.:
C20H19N5O6
Mol. Mass.:
425.3948
SMILES:
OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nn[nH]c(=O)c3c2)cc1)C(O)=O
Structure:
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