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GPCR

NameMelatonin receptor type 1A
SpeciesHomo sapiens (Human)
GeneMTNR1A
SynonymMT1 receptor
MelR
Mel1a receptor
Mel-1A-R
DiseaseInsomnia
Anxiety disorder
Circadian rhythm sleep disorder
Major depressive disorder
Sleep disorders
Length350
Amino acid sequenceMQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSLAVADLVVAIYPYPLVLMSIFNNGWNLGYLHCQVSGFLMGLSVIGSIFNITGIAINRYCYICHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMIIVIFCYLRIWILVLQVRQRVKPDRKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRKEYRRIIVSLCTARVFFVDSSNDVADRVKWKPSPLMTNNNVVKVDSV
UniProtP48039
Protein Data BankN/A
GPCR-HGmod modelP48039
3D structure modelThis predicted structure model is from GPCR-EXP P48039.
BioLiPN/A
Therapeutic Target DatabaseT97613
ChEMBLCHEMBL1945
IUPHAR287
DrugBankBE0000515

Ligand

Name920317-71-1
Molecular formulaC18H21NO2
IUPAC nameN-[2-(3-methoxyphenyl)-3-phenylpropyl]acetamide
Molecular weight283.371
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsCTK3H1689
DTXSID20582414
Acetamide, N-[2-(3-methoxyphenyl)-3-phenylpropyl]-
CHEMBL219127
N-[2-(3-methoxyphenyl)-3-phenylpropyl]acetamide
[ Show all ]
Inchi KeyAVPVPCXCBSANDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21NO2/c1-14(20)19-13-17(11-15-7-4-3-5-8-15)16-9-6-10-18(12-16)21-2/h3-10,12,17H,11,13H2,1-2H3,(H,19,20)
PubChem CID16094591
ChEMBLCHEMBL219127
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Intrinsic activity-0.23 -PMID17149869ChEMBL
Ki691.83 nMPMID17149869ChEMBL

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