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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

NameN-(2,3-diphenylpropyl)acetamide
Molecular formulaC17H19NO
IUPAC nameN-(2,3-diphenylpropyl)acetamide
Molecular weight253.345
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP3.2
SynonymsCTK3H1690
920317-70-0
DTXSID70582404
Acetamide, N-(2,3-diphenylpropyl)-
CHEMBL376693
[ Show all ]
Inchi KeyCEAYQNJONWLLOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19NO/c1-14(19)18-13-17(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,18,19)
PubChem CID16094576
ChEMBLCHEMBL376693
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Intrinsic activity-0.43 -PMID17149869ChEMBL
Ki416.87 nMPMID17149869ChEMBL

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