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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

NameCHEMBL139627
Molecular formulaC19H21NO3
IUPAC nameN-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
Molecular weight311.381
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsSCHEMBL8610833
ZINC13781830
BDBM50408652
Inchi KeyAGJNRNIEUYRJMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21NO3/c1-12(21)20-8-7-15-10-16(19(22)13-3-4-13)9-14-5-6-17(23-2)11-18(14)15/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,20,21)
PubChem CID23360817
ChEMBLCHEMBL139627
IUPHARN/A
BindingDB50408652
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5039.81 nMPMID9804685BindingDB,ChEMBL

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