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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

NameCHEMBL394408
Molecular formulaC21H24N2O2
IUPAC nameN-[2-(5-methoxy-7-phenyl-1H-indol-3-yl)ethyl]butanamide
Molecular weight336.435
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.0
SynonymsN/A
Inchi KeyFSHZXXWZGMKZSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N2O2/c1-3-7-20(24)22-11-10-16-14-23-21-18(15-8-5-4-6-9-15)12-17(25-2)13-19(16)21/h4-6,8-9,12-14,23H,3,7,10-11H2,1-2H3,(H,22,24)
PubChem CID44429454
ChEMBLCHEMBL394408
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
Ki870.96 nMPMID17459711ChEMBL

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