Reaction Details  Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50024472
Substrate
n/a
Meas. Tech.
ChEBML_209107
IC50
>200000±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]
Target
Name:
Thymidylate synthase
Synonyms:
TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:
Enzyme
Mol. Mass.:
36576.54
Organism:
Lactobacillus casei
Description:
n/a
Residue:
316
Sequence:
MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV
  
Inhibitor
Name:
BDBM50024472
Synonyms:
4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-amino]-benzoic acid | CHEMBL441958
Type:
Small organic molecule
Emp. Form.:
C16H18N4O3
Mol. Mass.:
314.3391
SMILES:
Nc1nc2CCC(CNc3ccc(cc3)C(O)=O)Cc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: