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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

NameCHEMBL34729
Molecular formulaC15H18N2O2
IUPAC nameN-[(4-methoxy-1H-indol-2-yl)methyl]cyclobutanecarboxamide
Molecular weight258.321
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.2
SynonymsN-[(4-Methoxy-1H-indole-2-yl)methyl]cyclobutanecarboxamide
Inchi KeyBDBFRVSIZCSSBS-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H18N2O2/c1-19-14-7-3-6-13-12(14)8-11(17-13)9-16-15(18)10-4-2-5-10/h3,6-8,10,17H,2,4-5,9H2,1H3,(H,16,18)
PubChem CID10563168
ChEMBLCHEMBL34729
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
G-protein activation98.0 -PMID9733487ChEMBL
GTP-gammaS index0.05 -PMID9733487ChEMBL
IAr-0.01 -PMID11520198ChEMBL
Intrinsic activity-0.01 -PMID12672242ChEMBL
Ki524.81 nMPMID11520198, PMID9733487ChEMBL
pRA-3.44 -PMID9733487ChEMBL
pRA1-3.26 -PMID12672242ChEMBL
Relative affinity2700.0 -PMID9733487ChEMBL

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