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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

NameCHEMBL124914
Molecular formulaC14H18N2O2
IUPAC nameN-[3-(1,3-benzoxazol-7-yl)propyl]butanamide
Molecular weight246.31
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.5
SynonymsN-(3-Benzooxazol-7-yl-propyl)-butyramide
BDBM50149178
D03AJW
Inchi KeyADFZAUSXPZLXMN-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18N2O2/c1-2-5-13(17)15-9-4-7-11-6-3-8-12-14(11)18-10-16-12/h3,6,8,10H,2,4-5,7,9H2,1H3,(H,15,17)
PubChem CID44349108
ChEMBLCHEMBL124914
IUPHARN/A
BindingDB50149178
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.9 nMPMID15203165BindingDB,ChEMBL

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