Reaction Details Report a problem with these data
Target
Protein O-GlcNAcase
Ligand
BDBM50513949
Substrate
n/a
Meas. Tech.
ChEMBL_1855026 (CHEMBL4355755)
EC50
328±n/a nM
Citation
 Selnick, HG; Hess, JF; Tang, C; Liu, K; Schachter, JB; Ballard, JE; Marcus, J; Klein, DJ; Wang, X; Pearson, M; Savage, MJ; Kaul, R; Li, TS; Vocadlo, DJ; Zhou, Y; Zhu, Y; Mu, C; Wang, Y; Wei, Z; Bai, C; Duffy, JL; McEachern, EJ Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies. J Med Chem 62:10062-10097 (2019) [PubMed]  Article 
Target
Name:
Protein O-GlcNAcase
Synonyms:
Beta-N-acetylhexosaminidase | Beta-hexosaminidase | Bifunctional protein NCOAT | Hexc | Hexc | Mea5 | Meningioma-expressed antigen 5 | Mgea5 | N-acetyl-beta-D-glucosaminidase | N-acetyl-beta-glucosaminidase | OGA_RAT | Oga | Protein O-GlcNAcase
Type:
PROTEIN
Mol. Mass.:
102878.65
Organism:
Rattus norvegicus
Description:
ChEMBL_109537
Residue:
916
Sequence:
MVQKESQAALEERESERNANPASVSGASLEPSAAPAPGEDNPSGAGAAAGTGAAGGARRFLCGVVEGFYGRPWVMEQRKELFRRLQKWELNTYLYAPKDDYKHRMFWREMYSVEEAEQLMTLISAAREYEIEFIYAISPGLDITFSNPKEVSTLKRKLDQVSQFGCRSFALLFDDIDHNMCAADKEVFSSFAHAQVSITNEIYQYLGEPETFLFCPTEYCGTFCYPSVSQSPYLRTVGEKLLPGIEVLWTGPKVVSKEIPVESIEEVSKIIKRAPVIWDNIHANDYDQKRLFLGPYKGRSTELIPRLKGVLTNPNCEFEANYVAIHTLATWYKSNMNGVRKDVVMTDSEDSTVSIQIKLENEGSDEDIETDVLYSPQMALKLALTEWLQEFGVPHQYSSRQVAHSGAKTSVVDGTPLVAAPSLNATTVVTTVYQEPIMSQGAALSGEPSALTKEEEKKQPDEEPMDMVVEKQEESEHKSDNQILTEIVEAKMAEELKPMDTDKESIAESKSPEMSMQEDCINDIAPMQTDEQANKEQFVPGPNEKPLYAAEPVTLEDLQLLADLFYLPYEHGPKGAQMLREFQWLRANSSVVSVNCKGKDSEKIEEWRSRAAKFEEMCALVMGMFTRLSNCANRTILYDMYSYVWDIKSIMSMVKSFVQWLGCRSHSSAQFLIGDQEPWAFRGGLAGEFQRLLPIDGANDLFFQPPPLTPTSKVYTIRPYFPKDEASVYKICREMYDDGVGLPFQSQPDLIGDKLVGGLLSLSLDYCFVLEDEDGICGYALGTVDVTPFIKKCKISWIPFMQEKYTKPNGDKELSEAEKIMLSFHEEQEVLPETFLANFPSLIKMDIHKKVTDPSVAKSMMACLLSSLKANGSRGAFCEVRPDDKRILEFYSKLGCFEIAKMEGFPKDVVILGRSL
  
Inhibitor
Name:
BDBM50513949
Synonyms:
CHEMBL4476839
Type:
Small organic molecule
Emp. Form.:
C8H12F2N2O2S
Mol. Mass.:
238.255
SMILES:
[H][C@]12O[C@H](CF)[C@@H](O)[C@@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13|
Structure:
Search PDB for entries with ligand similarity: