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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

NameCHEMBL238049
Molecular formulaC20H24N2O2
IUPAC nameN-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide
Molecular weight324.424
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsSCHEMBL3396926
Inchi KeyBPIGQMAEJFYIDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N2O2/c1-24-19-12-6-11-18(15-19)22(17-9-3-2-4-10-17)14-13-21-20(23)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,21,23)
PubChem CID24750194
ChEMBLCHEMBL238049
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 activity0.22 -PMID18052314ChEMBL
Ki323.59 nMPMID18052314ChEMBL

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