Reaction Details Report a problem with these data
Target
Protein O-GlcNAcase
Ligand
BDBM36548
Substrate
BDBM18365
Meas. Tech.
Enzyme Inhibition Assay
pH
4.25±0
Temperature
303.15±0 K
Ki
1.756e+5± 2.15e+3 nM
Citation
 Ho, CW; Popat, SD; Liu, TW; Tsai, KC; Ho, MJ; Chen, WH; Yang, AS; Lin, CH Development of GlcNAc-inspired iminocyclitiols as potent and selective N-acetyl-beta-hexosaminidase inhibitors. ACS Chem Biol 5:489-97 (2010) [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:
BDBM36548
Synonyms:
N-[1-(7-{bis[(4-methoxyphenyl)methyl]amino}heptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, 4
Type:
Small organic molecule
Emp. Form.:
C31H47N3O6
Mol. Mass.:
557.7214
SMILES:
COc1ccc(CN(CCCCCCCN2CC(NC(C)=O)C(O)C(O)C2CO)Cc2ccc(OC)cc2)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18365
Synonyms:
4-Methylumbelliferyl alpha-D-glucopyranoside | 4-methyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one | 4-methylumbelliferyl alpha-glucoside
Type:
Small organic molecule
Emp. Form.:
C16H18O8
Mol. Mass.:
338.3093
SMILES:
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
Structure:
Search PDB for entries with ligand similarity: