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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

NameBRN 1379764
Molecular formulaC13H15NO2S
IUPAC nameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
Molecular weight249.328
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.5
SynonymsACETAMIDE, N-(2-(5-METHOXYBENZO(b)THIEN-3-YL)ETHYL)-
DTXSID10182664
BDBM50037219
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
CHEMBL109235
[ Show all ]
Inchi KeyAXMIJKLYRBIWJK-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H15NO2S/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 CID34247
ChEMBLCHEMBL109235
IUPHARN/A
BindingDB50037219
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.259 nMPMID9804685ChEMBL
IC501.26 nMPMID9804685BindingDB

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