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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

NameCHEMBL1774527
Molecular formulaC22H23NO3
IUPAC nameN-[2-[7-(4-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
Molecular weight349.43
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50343594
N-{2-[7-(4-Methoxyphenyl)-1,6-dihydro-2H-indeno[5,4-b]-furan-8-yl]ethyl}acetamide
Inchi KeyCABJAVHFDRCPIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23NO3/c1-14(24)23-11-9-18-20(15-3-6-17(25-2)7-4-15)13-16-5-8-21-19(22(16)18)10-12-26-21/h3-8H,9-13H2,1-2H3,(H,23,24)
PubChem CID53238408
ChEMBLCHEMBL1774527
IUPHARN/A
BindingDB50343594
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.0 nMPMID21473625BindingDB,ChEMBL

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