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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

NameCHEMBL3612611
Molecular formulaC14H16N2O2
IUPAC nameN-[(5-methoxyquinolin-2-yl)methyl]propanamide
Molecular weight244.294
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.8
SynonymsN-(5-Methoxyquinoline-2-ylmethyl)propanamide
Inchi KeyAISYFPTXAZAJEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-8H,3,9H2,1-2H3,(H,15,17)
PubChem CID122188354
ChEMBLCHEMBL3612611
IUPHARN/A
BindingDB50117912
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID26334942BindingDB,ChEMBL

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