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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

NameCHEMBL514280
Molecular formulaC24H29NO2
IUPAC nameN-[2-[(1R,3R)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
Molecular weight363.501
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50266354
N-(2-((1R,3R)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl)cyclobutanecarboxamide
(1R)-1beta-[2-(Cyclobutylcarbonylamino)ethyl]-3beta-phenyl-7-methoxytetralin
Inchi KeyCHNMYFQAXCNAFN-SFTDATJTSA-N
Inchi IDInChI=1S/C24H29NO2/c1-27-22-11-10-19-14-21(17-6-3-2-4-7-17)15-20(23(19)16-22)12-13-25-24(26)18-8-5-9-18/h2-4,6-7,10-11,16,18,20-21H,5,8-9,12-15H2,1H3,(H,25,26)/t20-,21-/m0/s1
PubChem CID10044270
ChEMBLCHEMBL514280
IUPHARN/A
BindingDB50266354
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki797.0 nMPMID19193160BindingDB,ChEMBL

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