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Name | Melatonin receptor type 1A |
---|---|
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 | CHEMBL394406 |
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Molecular formula | C16H21BrN2O2 |
IUPAC name | N-[2-(7-bromo-5-methoxy-1-methylindol-3-yl)ethyl]butanamide |
Molecular weight | 353.26 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | N/A |
Inchi Key | YBEOAQXDVQZIRF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H21BrN2O2/c1-4-5-15(20)18-7-6-11-10-19(2)16-13(11)8-12(21-3)9-14(16)17/h8-10H,4-7H2,1-3H3,(H,18,20) |
PubChem CID | 44429451 |
ChEMBL | CHEMBL394406 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 33.11 nM | PMID17459711 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218