BindingDB

null

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=UDMBCSSLTHHNCD-KQYNXXCUSA-N

PDB links: 184 PDB IDs match this monomer. 4071 PDB IDs contain this monomer as substructures. 1936 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 = 18137

Fructose-1,6-bisphosphatase 1(Homo sapiens (Human))
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL

BDBM18137(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)copy SMILEScopy InChI

IC50: 2.30E+3nMAssay Description:Inhibition of human FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrop...More data for this Ligand-Target Pair

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Details Article
BindingDB Entry DOI: 10.7270/Q2RB77W3PubMed PDB

3D Structure (crystal)

Targets 24 ▿
- Fructose-1,6-bisphosphatase 1 14
- P2Y purinoceptor 1 4
- Gag-Pol polyprotein [489-587] 2
- P2Y purinoceptor 2 2
- 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 2
- Mitogen-activated protein kinase kinase kinase 7 2
- 5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 2
- 2-dehydropantoate 2-reductase 2
- 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 1
- Transmembrane and immunoglobulin domain-containing 3 1
- 5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1 1
- Adenylate kinase 2, mitochondrial 1
- Transient receptor potential cation channel subfamily M member 2 1
- Adenylate kinase isoenzyme 1 1
- P2Y purinoceptor 11 1
- Taste receptor type 1 member 1/3 1
- Adenosine receptor A1 1
- Glycine--tRNA ligase 1
- Proto-oncogene tyrosine-protein kinase Src 1
- Inosine-5'-monophosphate dehydrogenase 1
- Cholecystokinin 1
- 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T] 1
- Glycogen synthase kinase-3 beta 1
- Adenosine receptor A2a 1
Publications 27 ▿
- J Med Chem 45: 208-18 (2001) 7
- Eur J Med Chem 45: 1478-84 (2010) 2
- J Med Chem 25: 1179-84 (1983) 2
- Mol Pharmacol 45: 1101-11 (1994) 2
- J Med Chem 59: 8068-81 (2016) 2
- Eur J Med Chem 85: 418-37 (2014) 2
- J Med Chem 49: 4992-5000 (2006) 2
- Bioorg Med Chem Lett 27: 1031-1036 (2017) 2
- Bioorg Med Chem Lett 20: 594-9 (2010) 2
- J Med Chem 45: 5430-9 (2002) 2
- J Med Chem 55: 6467-77 (2012) 1
- Bioorg Med Chem Lett 11: 17-21 (2001) 1
- Bioorg Med Chem 22: 1850-62 (2014) 1
- Bioorg Med Chem Lett 30: (2020) 1
- PubChem Bioassay (2010) 1
- PubChem Bioassay (2014) 1
- Eur J Med Chem 152: 235-252 (2018) 1
- PubChem Bioassay (2014) 1
- J Nat Prod 83: 1541-1552 (2020) 1
- J Med Chem 24: 1155-61 (1982) 1
- J Med Chem 52: 2880-98 (2009) 1
- J Neurosci 4: 1021-33 (1984) 1
- Eur J Med Chem 90: 394-405 (2015) 1
- Biochemistry 42: 5333-40 (2003) 1
- Eur J Med Chem 184: (2019) 1
- J Nat Prod 55: 1529-1560 (1992) 1
- Bioorg Med Chem 17: 3916-22 (2009) 1
Institutions 23 ▿
- [National Institute of Diabetes] 7
- [TBA] 4
- [Boston College] 3
- [Pfizer Inc., Chugai Pharmaceutical Co., Ltd., Universit£ Paris Descartes, Uppsala University, F. Hoffmann-La Roche Ltd, The Scripps Research Institute Molecular Screening Center, University Chemical Laboratory, National Institute of Diabetes, Digestive and Kidney Diseases] 2
- [Pfizer Inc., Chugai Pharmaceutical Co., Ltd., Universit£ Paris Descartes, Uppsala University, F. Hoffmann-La Roche Ltd, The Scripps Research Institute Molecular Screening Center, University Chemical Laboratory, National Institute of Diabetes, Digestive and Kidney Diseases] 2
- [Pfizer Inc., Chugai Pharmaceutical Co., Ltd., Universit£ Paris Descartes, Uppsala University, F. Hoffmann-La Roche Ltd, The Scripps Research Institute Molecular Screening Center, University Chemical Laboratory, National Institute of Diabetes, Digestive and Kidney Diseases] 2
- [Pfizer Inc., Chugai Pharmaceutical Co., Ltd., Universit£ Paris Descartes, Uppsala University, F. Hoffmann-La Roche Ltd, The Scripps Research Institute Molecular Screening Center, University Chemical Laboratory, National Institute of Diabetes, Digestive and Kidney Diseases] 2
- [Pfizer Inc., Chugai Pharmaceutical Co., Ltd., Universit£ Paris Descartes, Uppsala University, F. Hoffmann-La Roche Ltd, The Scripps Research Institute Molecular Screening Center, University Chemical Laboratory, National Institute of Diabetes, Digestive and Kidney Diseases] 2
- [Pfizer Inc., Chugai Pharmaceutical Co., Ltd., Universit£ Paris Descartes, Uppsala University, F. Hoffmann-La Roche Ltd, The Scripps Research Institute Molecular Screening Center, University Chemical Laboratory, National Institute of Diabetes, Digestive and Kidney Diseases] 2
- [Pfizer Inc., Chugai Pharmaceutical Co., Ltd., Universit£ Paris Descartes, Uppsala University, F. Hoffmann-La Roche Ltd, The Scripps Research Institute Molecular Screening Center, University Chemical Laboratory, National Institute of Diabetes, Digestive and Kidney Diseases] 2
- [Pfizer Inc., Chugai Pharmaceutical Co., Ltd., Universit£ Paris Descartes, Uppsala University, F. Hoffmann-La Roche Ltd, The Scripps Research Institute Molecular Screening Center, University Chemical Laboratory, National Institute of Diabetes, Digestive and Kidney Diseases] 2
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
- [Chinese Academy of Medical Sciences&Peking Union Medical College, International Cooperation Base of Pesticide and Green Synthesis (Hubei), Metabasis Therapeutics, Inc., Pfizer Central Research, Peking University, Medical College of Ohio, University of Porto, F. Hoffmann-La Roche & Co., Ltd., University of North Carolina at Chapel Hill, Broad Institute, Nanjing University of Chinese Medicine, Chinese Academy of Medical Sciences& Peking Union Medical College] 1
Affinity: 0.23 to 6.3E+6 nM▿
- Ki 11
- IC50 19
- Kd 5
- EC50 12
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1