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Name | Melatonin receptor type 1B |
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Species | Homo sapiens (Human) |
Gene | MTNR1B |
Synonym | MT2 receptor mel1b receptor Mel-1B-R |
Disease | Epilepsy |
Length | 362 |
Amino acid sequence | MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL |
UniProt | P49286 |
Protein Data Bank | N/A |
GPCR-HGmod model | P49286 |
3D structure model | This predicted structure model is from GPCR-EXP P49286. |
BioLiP | N/A |
Therapeutic Target Database | T48268 |
ChEMBL | CHEMBL1946 |
IUPHAR | 288 |
DrugBank | BE0000327 |
Name | CHEMBL1760954 |
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Molecular formula | C14H20N4O2 |
IUPAC name | N-[2-[6-methoxy-3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide |
Molecular weight | 276.34 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 0.2 |
Synonyms | BDBM50340334 N-(2-(6-methoxy-3-((methylamino)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide |
Inchi Key | BNECBUSPJTTYQW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H20N4O2/c1-10(19)16-6-7-18-9-11(8-15-2)12-4-5-13(20-3)17-14(12)18/h4-5,9,15H,6-8H2,1-3H3,(H,16,19) |
PubChem CID | 54583162 |
ChEMBL | CHEMBL1760954 |
IUPHAR | N/A |
BindingDB | 50340334 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1090.0 nM | PMID21420861 | BindingDB,ChEMBL |
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