Reaction Details Report a problem with these data
Target
Endo-beta-N-acetylglucosaminidase
Ligand
BDBM50373151
Substrate
n/a
Meas. Tech.
ChEMBL_467015 (CHEMBL924919)
IC50
220±n/a nM
Citation
 Li, B; Takegawa, K; Suzuki, T; Yamamoto, K; Wang, LX Synthesis and inhibitory activity of oligosaccharide thiazolines as a class of mechanism-based inhibitors for endo-beta-N-acetylglucosaminidases. Bioorg Med Chem 16:4670-5 (2008) [PubMed]  Article 
Target
Name:
Endo-beta-N-acetylglucosaminidase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
72045.14
Organism:
Arthrobacter protophormiae
Description:
ChEMBL_467015
Residue:
645
Sequence:
MRKAFLVGLVCTACVLLHDDPVAASTYNGPLSSHWFPEELAQWEPDSDPDAPFNRSHVPLEPGRVANRVNANADKDAHLVSLSALNRHTSGVPSQGAPVFYENTFSYWHYTDLMVYWAGSAGEGIIVPPSADVIDASHRNGVPILGNVFFPPTVYGGQLEWLEQMLEQEEDGSFPLADKLLEVADYYGFDGWFINQETEGADEGTAEAMQAFLVYLQEQKPEGMHIMWYDSMIDTGAIAWQNHLTDRNKMYLQNGSTRVADSMFLNFWWRDQRQSNELAQALGRSPYDLYAGVDVEARGTSTPVQWEGLFPEGEKAHTSLGLYRPDWAFQSSETMEAFYEKELQFWVGSTGNPAETDGQSNWPGMAHWFPAKSTATSVPFVTHFNTGSGAQFSAEGKTVSEQEWNNRSLQDVLPTWRWIQHGGDLEATFSWEEAFEGGSSLQWHGSLAEGEHAQIELYQTELPISEGTSLTWTFKSEHGNDLNVGFRLDGEEDFRYVEGEQRESINGWTQWTLPLDAFAGQTITGLAFAAEGNETGLAEFYIGQLAVGADSEKPAAPNVNVRQYDPDPSGIQLVWEKQSNVHHYRVYKETKHGKELIGTSAGDRIYLEGLVEESKQNDVRLHIEALSETFVPSDARMIDIKSGSF
  
Inhibitor
Name:
BDBM50373151
Synonyms:
CHEMBL259756
Type:
Small organic molecule
Emp. Form.:
C62H103NO49S
Mol. Mass.:
1678.524
SMILES:
CC1=N[C@H]2[C@@H](O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H]2O)S1 |t:1|
Structure:
Search PDB for entries with ligand similarity: