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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

NameCHEMBL323332
Molecular formulaC13H15NO3
IUPAC nameN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]acetamide
Molecular weight233.267
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.9
SynonymsACETAMIDE,N-[2-(5-METHOXY-3-BENZOFURANYL)- ETHYL]-
SCHEMBL7018941
3-[2-(Acetylamino)ethyl]-5-methoxybenzofuran
N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide
ACM27404359
[ Show all ]
Inchi KeyBTVRPXLAXZPZPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
PubChem CID10059864
ChEMBLCHEMBL323332
IUPHARN/A
BindingDB50037242
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.6 nMPMID18372181BindingDB,ChEMBL
IC501.58 nMPMID9804685BindingDB
IC501.585 nMPMID9804685ChEMBL
Ki0.15 nMPMID26785296, PMID26820449, PMID12061881BindingDB,ChEMBL
Ki0.15 nMPMID26785296, PMID26820449BindingDB
pC13.824 -PMID15177448ChEMBL

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