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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

NameN-(2-(7-Methoxynaphth-1-yl)ethyl)propionamide
Molecular formulaC16H19NO2
IUPAC nameN-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
Molecular weight257.333
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50408556
N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
DTXSID30160469
SCHEMBL5361538
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
[ Show all ]
Inchi KeyAGFPIMUSQHDOJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19NO2/c1-3-16(18)17-10-9-13-6-4-5-12-7-8-14(19-2)11-15(12)13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
PubChem CID3071631
ChEMBLCHEMBL37771
IUPHARN/A
BindingDB50408556
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.995 nMPMID9804685ChEMBL
IC502.0 nMPMID9804685BindingDB

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