Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50014480
Substrate
n/a
Meas. Tech.
ChEBML_209971
IC50
160±n/a nM
Citation
Hughes, LR; Jackman, AL; Oldfield, J; Smith, RC; Burrows, KD; Marsham, PR; Bishop, JA; Jones, TR; O'Connor, BM; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: alkyl, substituted alkyl, and aryl substituents in the C2 position. J Med Chem 33:3060-7 (1990) [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:
BDBM50014480
Synonyms:
(S)-2-(4-(((4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid | 2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL103059
Type:
Small organic molecule
Emp. Form.:
C24H22N4O6
Mol. Mass.:
462.4547
SMILES:
OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O