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Target
Protein O-GlcNAcase
Ligand
BDBM50549049
Substrate
n/a
Meas. Tech.
ChEMBL_2023746 (CHEMBL4677559)
IC50
240±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:
BDBM50549049
Synonyms:
CHEMBL4791287
Type:
Small organic molecule
Emp. Form.:
C21H28N4OS
Mol. Mass.:
384.538
SMILES:
CC(=O)Nc1ncc(CN2CC[C@@]3(C[C@H](Cc4cc(C)nc(C)c4)C3)C2)s1 |r,wU:12.26,wD:14.14,(56,-12.21,;55.76,-13.73,;56.95,-14.71,;54.32,-14.28,;54.07,-15.8,;55.15,-16.89,;54.45,-18.26,;52.93,-18.01,;51.84,-19.1,;50.35,-18.69,;49.15,-19.66,;47.86,-18.82,;48.26,-17.33,;46.77,-16.93,;47.17,-15.44,;46.39,-14.11,;44.86,-14.11,;44.11,-15.44,;42.58,-15.45,;41.82,-16.79,;41.8,-14.12,;42.57,-12.79,;41.79,-11.46,;44.1,-12.79,;48.66,-15.83,;49.81,-17.26,;52.69,-16.49,)|
Structure:
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