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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

NameCHEMBL233517
Molecular formulaC20H22N2O2
IUPAC nameN-[2-(5-methoxy-7-phenyl-1H-indol-3-yl)ethyl]propanamide
Molecular weight322.408
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.7
SynonymsN/A
Inchi KeyCVTMNWQZILUNLF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2O2/c1-3-19(23)21-10-9-15-13-22-20-17(14-7-5-4-6-8-14)11-16(24-2)12-18(15)20/h4-8,11-13,22H,3,9-10H2,1-2H3,(H,21,23)
PubChem CID44429453
ChEMBLCHEMBL233517
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
Ki616.6 nMPMID17459711ChEMBL

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