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Target
Thymidylate synthase
Ligand
BDBM50024475
Substrate
n/a
Meas. Tech.
ChEMBL_209805 (CHEMBL815671)
IC50
1000000±n/a nM
Citation
 Nair, MG; Dhawan, R; Ghazala, M; Kalman, TI; Ferone, R; Gaumont, Y; Kisliuk, RL Folate analogues. 30. Synthesis and biological evaluation of N10-propargyl-5,8-dideaza-5,6,7,8-tetrahydrofolic acid and related compounds. J Med Chem 30:1256-61 (1987) [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:
BDBM50024475
Synonyms:
2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid (H4-DDF) | CHEMBL279508
Type:
Small organic molecule
Emp. Form.:
C21H25N5O6
Mol. Mass.:
443.4531
SMILES:
Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Structure:
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