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Target
Thymidylate synthase
Ligand
BDBM18795
Substrate
n/a
Meas. Tech.
ChEMBL_209995 (CHEMBL811642)
IC50
900±n/a nM
Citation
 Gangjee, A; Yu, J; McGuire, JJ; Cody, V; Galitsky, N; Kisliuk, RL; Queener, SF Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent. J Med Chem 43:3837-51 (2000) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TYSY_RAT | Tyms
Type:
PROTEIN
Mol. Mass.:
35016.16
Organism:
Rattus norvegicus
Description:
ChEMBL_209996
Residue:
307
Sequence:
MLVEGSELQSGAQQPRTEAPQHGELQYLRQVEHIMRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGADYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM18795
Synonyms:
(2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)formamido]pentanedioic acid | CHEMBL225071 | RTX | Raltitrexed | Tomudex | ZD1694
Type:
Small organic molecule
Emp. Form.:
C21H22N4O6S
Mol. Mass.:
458.488
SMILES:
CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: