Target Information
| Target General Information | Top | |||||
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| Target ID |
T48268
(Former ID: TTDS00422)
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| Target Name |
Melatonin receptor type 1B (MTNR1B)
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| Synonyms |
Mel1b receptor; Mel1b melatonin receptor; Mel-1B-R
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| Gene Name |
MTNR1B
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| Target Type |
Successful target
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[1] | ||||
| Disease | [+] 1 Target-related Diseases | + | ||||
| 1 | Insomnia [ICD-11: 7A00-7A0Z] | |||||
| Function |
Likely to mediate the reproductive and circadian actions of melatonin. The activity of this receptor is mediated by pertussis toxin sensitive G proteins that inhibit adenylate cyclase activity. High affinity receptor for melatonin.
Click to Show/Hide
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| BioChemical Class |
GPCR rhodopsin
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| UniProt ID | ||||||
| Sequence |
MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLL
VILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVM GLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGS LEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRL CLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFN SCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQAD AL Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Drugs and Modes of Action | Top | |||||
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| Approved Drug(s) | [+] 2 Approved Drugs | + | ||||
| 1 | Ramelteon | Drug Info | Approved | Insomnia | [2], [3] | |
| 2 | Tasimelteon | Drug Info | Approved | Insomnia | [1], [4] | |
| Clinical Trial Drug(s) | [+] 1 Clinical Trial Drugs | + | ||||
| 1 | VLB-01 | Drug Info | Phase 3 | Epilepsy | [5] | |
| Mode of Action | [+] 3 Modes of Action | + | ||||
| Modulator | [+] 2 Modulator drugs | + | ||||
| 1 | Ramelteon | Drug Info | [6], [7] | |||
| 2 | VLB-01 | Drug Info | [8] | |||
| Agonist | [+] 1 Agonist drugs | + | ||||
| 1 | Tasimelteon | Drug Info | [1] | |||
| Inhibitor | [+] 19 Inhibitor drugs | + | ||||
| 1 | 2-iodo-melatonin | Drug Info | [9] | |||
| 2 | 5-methoxycarbonylamino-N-acetyltryptamine | Drug Info | [10] | |||
| 3 | Beta,beta-dimethylmelatonin | Drug Info | [11] | |||
| 4 | Beta-methylmelatonin | Drug Info | [11] | |||
| 5 | N-(2,3,4,9-Tetrahydro-1H-carbazol-3-yl)-acetamide | Drug Info | [12] | |||
| 6 | N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide | Drug Info | [10] | |||
| 7 | N-(3-(2,5-dimethoxyphenyl)propyl)acetamide | Drug Info | [13] | |||
| 8 | N-(3-(2-ethoxy-5-methoxyphenyl)propyl)acetamide | Drug Info | [13] | |||
| 9 | N-(3-(2-hydroxy-5-methoxyphenyl)propyl)acetamide | Drug Info | [13] | |||
| 10 | N-(3-(3-methoxyphenyl)-3-phenylallyl)acetamide | Drug Info | [14] | |||
| 11 | N-(3-(3-methoxyphenyl)propyl)acetamide | Drug Info | [13] | |||
| 12 | N-(3-(3-methoxyphenyl)propyl)propionamide | Drug Info | [13] | |||
| 13 | N-(3-(4-hydroxy-3-methoxyphenyl)propyl)acetamide | Drug Info | [13] | |||
| 14 | N-(3-(5-methoxy-2-propoxyphenyl)propyl)acetamide | Drug Info | [13] | |||
| 15 | N-(3-Benzooxazol-7-yl-propyl)-acetamide | Drug Info | [15] | |||
| 16 | N-(3-Benzooxazol-7-yl-propyl)-butyramide | Drug Info | [15] | |||
| 17 | N-(3-Benzooxazol-7-yl-propyl)-propionamide | Drug Info | [15] | |||
| 18 | N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-acetamide | Drug Info | [15] | |||
| 19 | UCM-454 | Drug Info | [14] | |||
| Chemical Structure based Activity Landscape of Target | Top |
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| Drug Property Profile of Target | Top | |
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| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| Co-Targets | Top | |||||
|---|---|---|---|---|---|---|
| Co-Targets | ||||||
| Target Poor or Non Binders | Top | |||||
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| Target Poor or Non Binders | ||||||
| Target Regulators | Top | |||||
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| Target-interacting Proteins | ||||||
| Target Profiles in Patients | Top | |||||
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| Target Expression Profile (TEP) | ||||||
| Target Affiliated Biological Pathways | Top | |||||
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| KEGG Pathway | [+] 2 KEGG Pathways | + | ||||
| 1 | Neuroactive ligand-receptor interaction | |||||
| 2 | Circadian entrainment | |||||
| Reactome | [+] 2 Reactome Pathways | + | ||||
| 1 | Class A/1 (Rhodopsin-like receptors) | |||||
| 2 | G alpha (i) signalling events | |||||
| WikiPathways | [+] 4 WikiPathways | + | ||||
| 1 | GPCRs, Class A Rhodopsin-like | |||||
| 2 | Small Ligand GPCRs | |||||
| 3 | GPCR ligand binding | |||||
| 4 | GPCR downstream signaling | |||||
| Target-Related Models and Studies | Top | |||||
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| Target Validation | ||||||
| Target QSAR Model | ||||||
| References | Top | |||||
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| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7393). | |||||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1356). | |||||
| REF 3 | Emerging therapies for fibromyalgia. Expert Opin Emerg Drugs. 2008 Mar;13(1):53-62. | |||||
| REF 4 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||||
| REF 5 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032715) | |||||
| REF 6 | MT1 and MT2 melatonin receptors: ligands, models, oligomers, and therapeutic potential. J Med Chem. 2014 Apr 24;57(8):3161-85. | |||||
| REF 7 | Ramelteon: a melatonin receptor agonist for the treatment of insomnia. J Postgrad Med. 2008 Jan-Mar;54(1):45-8. | |||||
| REF 8 | Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41. | |||||
| REF 9 | Synthesis of nitroindole derivatives with high affinity and selectivity for melatoninergic binding sites MT(3). J Med Chem. 2002 Apr 25;45(9):1853-9. | |||||
| REF 10 | Design and synthesis of benzofuranic derivatives as new ligands at the melatonin-binding site MT3. Bioorg Med Chem. 2008 May 1;16(9):4954-62. | |||||
| REF 11 | Mapping the melatonin receptor. 7. Subtype selective ligands based on beta-substituted N-acyl-5-methoxytryptamines and beta-substituted N-acyl-5-me... J Med Chem. 2006 Jun 15;49(12):3509-19. | |||||
| REF 12 | Mapping the melatonin receptor. 2. synthesis and biological activity of indole derived melatonin analogues with restricted conformations of the C-3 amidoethane side chain, Bioorg. Med. Chem. Lett. 4(13):1559-1564 (1994). | |||||
| REF 13 | Synthesis of substituted N-[3-(3-methoxyphenyl)propyl] amides as highly potent MT(2)-selective melatonin ligands. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2582-5. | |||||
| REF 14 | 2-[(2,3-dihydro-1H-indol-1-yl)methyl]melatonin analogues: a novel class of MT2-selective melatonin receptor antagonists. J Med Chem. 2009 Feb 12;52(3):826-33. | |||||
| REF 15 | Synthesis and structure-activity relationship of novel benzoxazole derivatives as melatonin receptor agonists. Bioorg Med Chem Lett. 2004 Jul 16;14(14):3799-802. | |||||
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