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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

NameLuzindole,5-MeOT-N-hexanyl
Molecular formulaC24H30N2O2
IUPAC nameN-[2-(2-benzyl-5-methoxy-1H-indol-3-yl)ethyl]hexanamide
Molecular weight378.516
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM85383
Inchi KeyRTLYQQVPQJMWGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N2O2/c1-3-4-6-11-24(27)25-15-14-20-21-17-19(28-2)12-13-22(21)26-23(20)16-18-9-7-5-8-10-18/h5,7-10,12-13,17,26H,3-4,6,11,14-16H2,1-2H3,(H,25,27)
PubChem CID57340103
ChEMBLN/A
IUPHARN/A
BindingDB85383
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki338.84 nMPMID9840420BindingDB

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