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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

NameCHEMBL138468
Molecular formulaC12H14N2O3
IUPAC nameN-[2-(7-methoxyfuro[2,3-c]pyridin-3-yl)ethyl]acetamide
Molecular weight234.255
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.1
SynonymsAcetamide, N-[2-(7-methoxyfuro[2,3-c]pyridin-3-yl)ethyl]-
183208-18-6
BDBM50408624
SCHEMBL8135635
Inchi KeyBBESWRZUFKHHNS-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14N2O3/c1-8(15)13-5-3-9-7-17-11-10(9)4-6-14-12(11)16-2/h4,6-7H,3,5H2,1-2H3,(H,13,15)
PubChem CID19703053
ChEMBLCHEMBL138468
IUPHARN/A
BindingDB50408624
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010000.0 nMPMID9804685BindingDB,ChEMBL

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