Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50004391
Substrate
n/a
Meas. Tech.
ChEBML_209812
IC50
6000±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
More Info.:
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:
BDBM50004391
Synonyms:
2-{4-[(4-Methoxy-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate | CHEMBL92944
Type:
Small organic molecule
Emp. Form.:
C27H27N3O6
Mol. Mass.:
489.5198
SMILES:
COc1cc(C)nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc12