BindingDB

null

SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O

InChI Key InChIKey=LXBIFEVIBLOUGU-JGWLITMVSA-N

PDB links: 9 PDB IDs match this monomer. 17 PDB IDs contain this monomer as substructures. 17 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18351

Ceramide glucosyltransferase(Homo sapiens (Human))
Leiden University

Curated by ChEMBL

BDBM18351((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)copy SMILEScopy InChI

IC50: 1.00E+5nMAssay Description:Inhibition of GCS by cell-based assayMore data for this Ligand-Target Pair

NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2M908TCPubMed

Targets 36 ▿
- Lysosomal alpha-glucosidase 21
- Sucrase-isomaltase, intestinal 16
- Lysosomal acid glucosylceramidase 13
- Neutral alpha-glucosidase AB 12
- Trehalase 6
- Beta-galactosidase 5
- Lactase/phlorizin hydrolase 5
- Maltase-glucoamylase 5
- Beta-glucosidase A 4
- Non-lysosomal glucosylceramidase 4
- Beta-glucosidase 4
- Platelet-derived growth factor receptor alpha/beta 3
- Alpha-glucosidase MAL62 3
- Alpha-glucosidase MAL12 2
- Alpha-mannosidase 2 2
- Cytosolic beta-glucosidase 2
- Alpha-mannosidase 2
- Putative alpha-glucosidase 2
- Tissue alpha-L-fucosidase 2
- Glycogen debranching enzyme 2
- Probable maltase-glucoamylase 2 2
- Neutral alpha-glucosidase C 2
- Killer cell lectin-like receptor subfamily B member 1A 1
- Alpha-glucosidase MAL32 1
- Oxysterols receptor LXR-beta 1
- Protein-lysine 6-oxidase 1
- Beta-mannosidase 1
- Cholinesterase 1
- Ceramide glucosyltransferase 1
- Oligo-1,6-glucosidase IMA1 1
- Alpha-amylase 1
- Trehalose synthase/amylase TreS 1
- Alpha-galactosidase A 1
- Oxysterols receptor LXR-alpha 1
- Alpha-mannosidase 2C1 1
- Early activation antigen CD69 1
- ...
Publications 36 ▿
- J Med Chem 37: 3701-6 (1994) 25
- J Med Chem 38: 2349-56 (1995) 9
- J Med Chem 55: 10347-62 (2012) 8
- Bioorg Med Chem Lett 14: 5991-5 (2004) 7
- Bioorg Med Chem 16: 7330-6 (2008) 7
- Bioorg Med Chem Lett 2: 27-32 (1992) 7
- J Med Chem 53: 689-98 (2010) 7
- J Med Chem 48: 2036-44 (2005) 5
- J Nat Prod 65: 1875-81 (2002) 4
- Bioorg Med Chem Lett 4: 2643-2648 (1994) 4
- Bioorg Med Chem 16: 4272-85 (2008) 3
- Bioorg Med Chem 19: 3558-68 (2011) 3
- Bioorg Med Chem Lett 7: 355-360 (1997) 2
- Bioorg Med Chem Lett 9: 615-8 (1999) 2
- Bioorg Med Chem 14: 7736-44 (2006) 2
- Bioorg Med Chem Lett 19: 6600-3 (2009) 2
- Bioorg Med Chem Lett 24: 2777-80 (2014) 2
- Bioorg Med Chem Lett 20: 4645-8 (2010) 2
- Bioorg Med Chem 18: 267-73 (2010) 2
- Chembiochem 11: 2125-31 (2010) 1
- Eur J Med Chem 62: 764-70 (2013) 1
- J Enzyme Inhib Med Chem 28: 1162-70 (2013) 1
- Eur J Med Chem 46: 1949-63 (2011) 1
- Bioorg Med Chem Lett 14: 73-5 (2003) 1
- US Patent US9181184 (2015) 1
- Bioorg Med Chem Lett 1: 667-672 (1991) 1
- Bioorg Med Chem Lett 10: 1081-4 (2000) 1
- Bioorg Med Chem Lett 16: 2067-70 (2006) 1
- J Nat Prod 65: 198-202 (2002) 1
- Eur J Med Chem 146: 232-244 (2018) 1
- Bioorg Med Chem Lett 18: 954-8 (2008) 1
- Nat Chem Biol 4: 306-12 (2008) 1
- J Biol Chem 286: 35601-9 (2011) 1
- Bioorg Med Chem 26: 737-746 (2018) 1
- Bioorg Med Chem Lett 2: 33-36 (1992) 1
- Eur J Med Chem 123: 155-160 (2016) 1
Institutions 23 ▿
- [Hokuriku University] 48
- [TBA] 15
- [University of Toyama] 11
- [Leiden University] 9
- [Universit£ d'Orl£ans] 7
- [Toyama Medical and Pharmaceutical University] 5
- [University of Tokyo] 4
- [Universit£ di Pisa, Technische Universit£t Berlin, Technical University Graz, Gyeongsang National University, Utrecht University] 2
- [Universit£ di Pisa, Technische Universit£t Berlin, Technical University Graz, Gyeongsang National University, Utrecht University] 2
- [Universit£ di Pisa, Technische Universit£t Berlin, Technical University Graz, Gyeongsang National University, Utrecht University] 2
- [Universit£ di Pisa, Technische Universit£t Berlin, Technical University Graz, Gyeongsang National University, Utrecht University] 2
- [Universit£ di Pisa, Technische Universit£t Berlin, Technical University Graz, Gyeongsang National University, Utrecht University] 2
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
- [Ocean University of China, Amicus Therapeutics, Inc., Kinki University, University of British Columbia, University of Karachi, University of Copenhagen, University of Sydney, University of Hamburg, Technische Universität Graz, The Medical School, Newcastle University, University College Dublin] 1
Affinity: 14 to 4.3E+8 nM▿
- Ki 26
- IC50 108
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1