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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

Name920317-82-4
Molecular formulaC19H21NO3
IUPAC nameN-[3,3-bis(3-methoxyphenyl)prop-2-enyl]acetamide
Molecular weight311.381
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
SynonymsAKOS030564983
CTK3H1680
DTXSID80582410
Acetamide, N-[3,3-bis(3-methoxyphenyl)-2-propen-1-yl]-
CHEMBL218225
[ Show all ]
Inchi KeyBZHIFCBOSAEOKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21NO3/c1-14(21)20-11-10-19(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-10,12-13H,11H2,1-3H3,(H,20,21)
PubChem CID16094586
ChEMBLCHEMBL218225
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 activity0.34 -PMID17149869ChEMBL
Ki0.2754 nMPMID17149869ChEMBL

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