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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

NameCHEMBL137949
Molecular formulaC15H21N3O2
IUPAC name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-propylurea
Molecular weight275.352
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP1.5
SynonymsS-20932
CBTLGKOSCJXQKW-UHFFFAOYSA-N
L008206
SCHEMBL9123376
N-[2-(5-methoxyindol-3-yl)ethyl]-N'-propylurea
[ Show all ]
Inchi KeyCBTLGKOSCJXQKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21N3O2/c1-3-7-16-15(19)17-8-6-11-10-18-14-5-4-12(20-2)9-13(11)14/h4-5,9-10,18H,3,6-8H2,1-2H3,(H2,16,17,19)
PubChem CID10039072
ChEMBLCHEMBL137949
IUPHARN/A
BindingDB50408596
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5019.95 nMPMID9804685BindingDB,ChEMBL

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