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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

NameCHEMBL138807
Molecular formulaC16H19NO3
IUPAC nameN-[3-hydroxy-2-(7-methoxynaphthalen-1-yl)propyl]acetamide
Molecular weight273.332
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.8
SynonymsSCHEMBL3328976
BDBM50408646
N-[2-(7-Methoxynaphthalene-1-yl)-3-hydroxypropyl]acetamide
N-[3-Hydroxy-2-(7-methoxy-1-naphthyl)propyl]acetamide
ACRFALLEPRLOAU-UHFFFAOYSA-N
Inchi KeyACRFALLEPRLOAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19NO3/c1-11(19)17-9-13(10-18)15-5-3-4-12-6-7-14(20-2)8-16(12)15/h3-8,13,18H,9-10H2,1-2H3,(H,17,19)
PubChem CID44359437
ChEMBLCHEMBL138807
IUPHARN/A
BindingDB50408646
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5019.95 nMPMID9804685BindingDB,ChEMBL

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