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Target
Protein O-GlcNAcase
Ligand
BDBM481708
Substrate
n/a
Meas. Tech.
Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity
Ki
0.427±n/a nM
Citation
 McEachern, EJ; Selnick, HG; Zhou, Y Substituted piperidines thiazolyl acetamides as glycosidase inhibitors and uses thereof US Patent  US10913733 Publication Date 2/9/2021 
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:
BDBM481708
Synonyms:
N-(5-{[4-(1H-indol-5- ylmethylidene)piperidin-1- yl]methyl}-1,3-thiazol-2- yl)acetamide | US10913733, Example 18
Type:
Small organic molecule
Emp. Form.:
C20H22N4OS
Mol. Mass.:
366.48
SMILES:
CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc3[nH]ccc3c2)s1 |(9.77,.15,;8.28,-.25,;7.88,-1.73,;7.19,.84,;5.71,.44,;4.94,-.89,;3.43,-.57,;3.27,.96,;1.94,1.73,;.6,.96,;.6,-.58,;-.73,-1.35,;-2.07,-.58,;-2.07,.96,;-.73,1.73,;-3.4,-1.35,;-4.73,-.58,;-4.73,.96,;-6.07,1.73,;-7.4,.96,;-8.87,1.44,;-9.77,.19,;-8.87,-1.05,;-7.4,-.58,;-6.07,-1.35,;4.68,1.59,)|
Structure:
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