Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate synthase
LigandBDBM50004390
Substrate/Competitorn/a
Meas. Tech.ChEBML_209812
IC50 1050±n/a nM
Citation Warner, PBarker, AJJackman, ALBurrows, KDRoberts, NBishop, JAO'Connor, BMHughes, LR Quinoline antifolate thymidylate synthase inhibitors: variation of the C2- and C4-substituents. J Med Chem35:2761-8 (1992) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase
Name:Thymidylate synthase
Synonyms:TS | TSase
Type:PROTEIN
Mol. Mass.:34957.15
Organism:Mus musculus
Description:ChEMBL_1340097
Residue:307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYS
LRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSAR
QEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKD
LPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPG
DFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPT
IKMEMAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50004390
NameBDBM50004390
Synonyms:2-{4-[(4-Chloro-2-hydroxymethyl-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid ; hydrate | CHEMBL329543
TypeSmall organic molecule
Emp. Form.C25H26ClN3O6
Mol. Mass.499.943
SMILESCCN(Cc1ccc2nc(CO)cc(Cl)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a