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GPCR

NameMelatonin receptor type 1B
SpeciesHomo sapiens (Human)
GeneMTNR1B
SynonymMT2 receptor
mel1b receptor
Mel-1B-R
DiseaseEpilepsy
Length362
Amino acid sequenceMSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL
UniProtP49286
Protein Data BankN/A
GPCR-HGmod modelP49286
3D structure modelThis predicted structure model is from GPCR-EXP P49286.
BioLiPN/A
Therapeutic Target DatabaseT48268
ChEMBLCHEMBL1946
IUPHAR288
DrugBankBE0000327

Ligand

NameCHEMBL3760044
Molecular formulaC18H20N2O3
IUPAC name1-ethyl-3-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]urea
Molecular weight312.369
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50144311
Inchi KeyACOBYGMBJMXULD-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2O3/c1-3-19-18(21)20-9-8-13-11-23-16-7-5-12-4-6-14(22-2)10-15(12)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)
PubChem CID127025786
ChEMBLCHEMBL3760044
IUPHARN/A
BindingDB50144311
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC506.2 nMPMID26820449BindingDB,ChEMBL
Emax93.0 %PMID26820449ChEMBL
Ki226.0 nMPMID26820449BindingDB,ChEMBL

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