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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 | 17994-17-1 |
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Molecular formula | C12H14N2O2 |
IUPAC name | 1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]ethanone |
Molecular weight | 218.256 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 0.8 |
Synonyms | NSC_260803 CAS_260803 Ethanone,1-[3-(2-aminoethyl)-5-hydroxy-1H-indol-1-yl]- ZINC1598249 AC1L63WS [ Show all ] |
Inchi Key | AZRQSPSPOGVDRQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3 |
PubChem CID | 260803 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 82271 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 484.0 nM | PMID9647472 | PDSP,BindingDB |
Ki | 489.77 nM | PMID9733487 | PDSP,BindingDB |
Ki | 986.0 nM | PMID7568007 | PDSP,BindingDB |
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