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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

NameCHEMBL19123
Molecular formulaC18H26N2O2
IUPAC name1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one
Molecular weight302.418
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.3
SynonymsSCHEMBL8649877
1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-butan-1-one
BDBM50125633
Inchi KeyCQEFEELCRZPXCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H26N2O2/c1-3-4-18(21)20-11-9-19(10-12-20)17-8-6-14-5-7-15(22-2)13-16(14)17/h5,7,13,17H,3-4,6,8-12H2,1-2H3
PubChem CID22375370
ChEMBLCHEMBL19123
IUPHARN/A
BindingDB50125633
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID12643943BindingDB,ChEMBL

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