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Name | Melatonin receptor type 1A |
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Species | Homo sapiens (Human) |
Gene | MTNR1A |
Synonym | MT1 receptor MelR Mel1a receptor Mel-1A-R |
Disease | Insomnia Anxiety disorder Circadian rhythm sleep disorder Major depressive disorder Sleep disorders |
Length | 350 |
Amino acid sequence | MQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSLAVADLVVAIYPYPLVLMSIFNNGWNLGYLHCQVSGFLMGLSVIGSIFNITGIAINRYCYICHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMIIVIFCYLRIWILVLQVRQRVKPDRKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRKEYRRIIVSLCTARVFFVDSSNDVADRVKWKPSPLMTNNNVVKVDSV |
UniProt | P48039 |
Protein Data Bank | N/A |
GPCR-HGmod model | P48039 |
3D structure model | This predicted structure model is from GPCR-EXP P48039. |
BioLiP | N/A |
Therapeutic Target Database | T97613 |
ChEMBL | CHEMBL1945 |
IUPHAR | 287 |
DrugBank | BE0000515 |
Name | CHEMBL323332 |
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Molecular formula | C13H15NO3 |
IUPAC name | N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide |
Molecular weight | 233.267 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 1.9 |
Synonyms | N-[2-(5-Methoxy-benzofuran-3-yl)-ethyl]-acetamide BDBM50037242 27404-35-9 D0O2GK ACETAMIDE,N-[2-(5-METHOXY-3-BENZOFURANYL)- ETHYL]- [ Show all ] |
Inchi Key | BTVRPXLAXZPZPV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15) |
PubChem CID | 10059864 |
ChEMBL | CHEMBL323332 |
IUPHAR | N/A |
BindingDB | 50037242 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.6 nM | PMID18372181 | BindingDB,ChEMBL |
IC50 | 1.58 nM | PMID9804685 | BindingDB |
IC50 | 1.585 nM | PMID9804685 | ChEMBL |
Ki | 0.15 nM | PMID26785296, PMID26820449, PMID12061881 | BindingDB,ChEMBL |
Ki | 0.15 nM | PMID26785296, PMID26820449 | BindingDB |
pC1 | 3.824 - | PMID15177448 | ChEMBL |
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