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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

NameCHEMBL141208
Molecular formulaC13H17NO4
IUPAC nameN-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]acetamide
Molecular weight251.282
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM50408629
SCHEMBL7519527
ZINC13781778
Inchi KeyAPZRWANZZZBDMN-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H17NO4/c1-10(15)14-6-3-7-16-11-4-2-5-12-13(11)18-9-8-17-12/h2,4-5H,3,6-9H2,1H3,(H,14,15)
PubChem CID44359381
ChEMBLCHEMBL141208
IUPHARN/A
BindingDB50408629
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50630.96 nMPMID9804685BindingDB,ChEMBL

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