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Target
Protein O-GlcNAcase
Ligand
BDBM50549046
Substrate
n/a
Meas. Tech.
ChEMBL_2023746 (CHEMBL4677559)
IC50
39.0±n/a nM
Citation
 Martínez-Viturro, CM; Trabanco, AA; Royes, J; Fernández, E; Tresadern, G; Vega, JA; Del Cerro, A; Delgado, F; García Molina, A; Tovar, F; Shaffer, P; Ebneth, A; Bretteville, A; Mertens, L; Somers, M; Alonso, JM; Bartolomé-Nebreda, JM Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders. J Med Chem 63:14017-14044 (2020) [PubMed]  Article 
Target
Name:
Protein O-GlcNAcase
Synonyms:
2-acetamido-2-deoxy-β-D-glucopyranosidase (O-GlcNAcase) | Beta-N-acetylhexosaminidase | Beta-hexosaminidase (O-GlcNAcase) | Bifunctional protein NCOAT | HEXC | KIAA0679 | MEA5 | MGEA5 | N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) | O-glycoprotein 2-acetamido-2-deoxy-β-D-glucopyranosidase (O-GlcNAcase) | OGA | OGA_HUMAN | Protein O-GlcNAcase
Type:
Enzyme
Mol. Mass.:
102874.67
Organism:
Homo sapiens (Human)
Description:
O60502
Residue:
916
Sequence:
MVQKESQATLEERESELSSNPAASAGASLEPPAAPAPGEDNPAGAGGAAVAGAAGGARRFLCGVVEGFYGRPWVMEQRKELFRRLQKWELNTYLYAPKDDYKHRMFWREMYSVEEAEQLMTLISAAREYEIEFIYAISPGLDITFSNPKEVSTLKRKLDQVSQFGCRSFALLFDDIDHNMCAADKEVFSSFAHAQVSITNEIYQYLGEPETFLFCPTEYCGTFCYPNVSQSPYLRTVGEKLLPGIEVLWTGPKVVSKEIPVESIEEVSKIIKRAPVIWDNIHANDYDQKRLFLGPYKGRSTELIPRLKGVLTNPNCEFEANYVAIHTLATWYKSNMNGVRKDVVMTDSEDSTVSIQIKLENEGSDEDIETDVLYSPQMALKLALTEWLQEFGVPHQYSSRQVAHSGAKASVVDGTPLVAAPSLNATTVVTTVYQEPIMSQGAALSGEPTTLTKEEEKKQPDEEPMDMVVEKQEETDHKNDNQILSEIVEAKMAEELKPMDTDKESIAESKSPEMSMQEDCISDIAPMQTDEQTNKEQFVPGPNEKPLYTAEPVTLEDLQLLADLFYLPYEHGPKGAQMLREFQWLRANSSVVSVNCKGKDSEKIEEWRSRAAKFEEMCGLVMGMFTRLSNCANRTILYDMYSYVWDIKSIMSMVKSFVQWLGCRSHSSAQFLIGDQEPWAFRGGLAGEFQRLLPIDGANDLFFQPPPLTPTSKVYTIRPYFPKDEASVYKICREMYDDGVGLPFQSQPDLIGDKLVGGLLSLSLDYCFVLEDEDGICGYALGTVDVTPFIKKCKISWIPFMQEKYTKPNGDKELSEAEKIMLSFHEEQEVLPETFLANFPSLIKMDIHKKVTDPSVAKSMMACLLSSLKANGSRGAFCEVRPDDKRILEFYSKLGCFEIAKMEGFPKDVVILGRSL
  
Inhibitor
Name:
BDBM50549046
Synonyms:
CHEMBL4741417
Type:
Small organic molecule
Emp. Form.:
C23H27N5OS
Mol. Mass.:
421.558
SMILES:
CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1
Structure:
Search PDB for entries with ligand similarity: