Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50037311
Substrate
n/a
Meas. Tech.
ChEMBL_209979 (CHEMBL821262)
Ki
60±n/a nM
Citation
 Bisset, GM; Bavetsias, V; Thornton, TJ; Pawelczak, K; Calvert, AH; Hughes, LR; Jackman, AL The synthesis and thymidylate synthase inhibitory activity of L-gamma-L-linked dipeptide and L-gamma-amide analogues of 2-desamino-2-methyl-N10-propargyl-5,8-dideazafolic acid (ICI 198583). J Med Chem 37:3294-302 (1994) [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:
BDBM50037311
Synonyms:
(R)-2-({5-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-methyl-amino]-thiophene-2-carbonyl}-amino)-pentanedioic acid | CHEMBL326727
Type:
Small organic molecule
Emp. Form.:
C20H21N5O6S
Mol. Mass.:
459.476
SMILES:
CN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@H](CCC(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: