Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50012035
Substrate
n/a
Meas. Tech.
ChEBML_209797
IC50
1740±n/a nM
Citation
Marsham, PR; Hughes, LR; Jackman, AL; Hayter, AJ; Oldfield, J; Wardleworth, JM; Bishop, JA; O'Connor, BM; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: heterocyclic benzoyl ring modifications. J Med Chem 34:1594-605 (1991) [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:
BDBM50012035
Synonyms:
2-({5-[(3-Hydroxy-propyl)-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-thiazole-2-carbonyl}-amino)-pentanedioic acid | CHEMBL40591
Type:
Small organic molecule
Emp. Form.:
C22H25N5O7S
Mol. Mass.:
503.528
SMILES:
Cc1nc2ccc(CN(CCCO)c3cnc(s3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1