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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

NameCHEMBL139418
Molecular formulaC18H17NO4
IUPAC nameN-[(6-methoxy-2-phenyl-1,4-benzodioxin-3-yl)methyl]acetamide
Molecular weight311.337
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsBTIYDRLBOALGSI-UHFFFAOYSA-N
n-[(7-methoxy-3-phenyl-1,4-benzodioxin-2-yl)methyl]acetamide
SCHEMBL7198597
BDBM50408568
Inchi KeyBTIYDRLBOALGSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17NO4/c1-12(20)19-11-17-18(13-6-4-3-5-7-13)23-15-9-8-14(21-2)10-16(15)22-17/h3-10H,11H2,1-2H3,(H,19,20)
PubChem CID15372705
ChEMBLCHEMBL139418
IUPHARN/A
BindingDB50408568
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010000.0 nMPMID9804685BindingDB,ChEMBL

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