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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

NameLuzindole,N-hexanoyl
Molecular formulaC23H28N2O
IUPAC nameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide
Molecular weight348.49
Hydrogen bond acceptor1
Hydrogen bond donor2
XlogP5.5
SynonymsN-[2-(2-Benzyl-1H-indole-3-yl)ethyl]hexanamide
BDBM85385
Inchi KeyQZEICWUXNUBJBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N2O/c1-2-3-5-14-23(26)24-16-15-20-19-12-8-9-13-21(19)25-22(20)17-18-10-6-4-7-11-18/h4,6-13,25H,2-3,5,14-17H2,1H3,(H,24,26)
PubChem CID57340104
ChEMBLN/A
IUPHARN/A
BindingDB85385
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki7079.45 nMPMID9840420BindingDB

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