Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50161778
Substrate
n/a
Meas. Tech.
ChEMBL_302848 (CHEMBL827892)
Ki
1.6±n/a nM
Citation
 Tondi, D; Venturelli, A; Ferrari, S; Ghelli, S; Costi, MP Improving specificity vs bacterial thymidylate synthases through N-dansyl modulation of didansyltyrosine. J Med Chem 48:913-6 (2005) [PubMed]  Article 
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:
BDBM50161778
Synonyms:
(S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-2-(1-oxa-2,3-diaza-cyclopenta[a]naphthalene-5-sulfonylamino)-propionic acid | CHEMBL179448 | Dansyltyrosine deriviative 33B
Type:
Small organic molecule
Emp. Form.:
C31H26N4O8S2
Mol. Mass.:
646.69
SMILES:
CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc3nnoc3c3ccccc23)C(O)=O)cc1
Structure:
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