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Target
Thymidylate synthase
Ligand
BDBM50004386
Substrate
n/a
Meas. Tech.
ChEBML_209812
IC50
2600±n/a nM
Citation
 Warner, P; Barker, AJ; Jackman, AL; Burrows, KD; Roberts, N; Bishop, JA; O'Connor, BM; Hughes, LR Quinoline antifolate thymidylate synthase inhibitors: variation of the C2- and C4-substituents. J Med Chem 35:2761-8 (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:
BDBM50004386
Synonyms:
2-{4-[(2-Chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate | CHEMBL313846
Type:
Small organic molecule
Emp. Form.:
C25H22ClN3O5
Mol. Mass.:
479.912
SMILES:
OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(Cl)ccc2c1)C(O)=O
Structure:
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