Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50014515
Substrate
n/a
Meas. Tech.
ChEBML_209796
IC50
5160.0±n/a nM
Citation
Marsham, PR; Jackman, AL; Oldfield, J; Hughes, LR; Thornton, TJ; Bisset, GM; O'Connor, BM; Bishop, JA; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: benzoyl ring modifications in the C2-methyl series. J Med Chem 33:3072-8 (1990) [PubMed] Article
More Info.:
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mouse
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
Inhibitor
Name:
BDBM50014515
Synonyms:
(S)-2-(4-(allyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)-3-fluorobenzamido)pentanedioic acid | 2-{4-[Allyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-3-fluoro-benzoylamino}-pentanedioic acid | CHEMBL105208
Type:
Small organic molecule
Emp. Form.:
C25H25FN4O6
Mol. Mass.:
496.4876
SMILES:
Cc1nc2ccc(CN(CC=C)c3ccc(cc3F)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1