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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

NameCHEMBL30930
Molecular formulaC15H20N2O4
IUPAC nameN-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight292.335
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.5
SynonymsAKOS028896236
N-[2-(4,5,6-Trimethoxy-1H-indole-3-yl)ethyl]acetamide
Inchi KeyFOCFZONBSMPHBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H20N2O4/c1-9(18)16-6-5-10-8-17-11-7-12(19-2)14(20-3)15(21-4)13(10)11/h7-8,17H,5-6H2,1-4H3,(H,16,18)
PubChem CID10517743
ChEMBLCHEMBL30930
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 activity0.73 -PMID12672242ChEMBL

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