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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

NameCHEMBL139091
Molecular formulaC11H13NO3
IUPAC nameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
Molecular weight207.229
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.8
SynonymsAcetamide, N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-
214894-55-0
BDBM50408599
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
SCHEMBL7522254
Inchi KeyAKXHOSGGEMFKSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H13NO3/c1-8(13)12-7-9-3-2-4-10-11(9)15-6-5-14-10/h2-4H,5-7H2,1H3,(H,12,13)
PubChem CID15838838
ChEMBLCHEMBL139091
IUPHARN/A
BindingDB50408599
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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