Reaction Details  Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50369577
Substrate
n/a
Meas. Tech.
ChEMBL_209996 (CHEMBL872750)
IC50
>360000±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Effect of C9-methyl substitution and C8-C9 conformational restriction on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines. J Med Chem 43:3125-33 (2000) [PubMed]
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:
BDBM50369577
Synonyms:
CHEMBL1237205 | CHEMBL2092925
Type:
Small organic molecule
Emp. Form.:
C21H21N5O6
Mol. Mass.:
439.4213
SMILES:
C\C(=C/c1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
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