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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

NameCHEMBL117617
Molecular formulaC23H21NO4
IUPAC name2-(furan-2-yl)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]acetamide
Molecular weight375.424
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsN/A
Inchi KeyCDGCFSKJQSGUMM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21NO4/c1-26-17-9-10-21-20(14-17)19(23(28-21)16-6-3-2-4-7-16)11-12-24-22(25)15-18-8-5-13-27-18/h2-10,13-14H,11-12,15H2,1H3,(H,24,25)
PubChem CID44343188
ChEMBLCHEMBL117617
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pC11.889 -PMID15177448ChEMBL

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