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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

NameCHEMBL331636
Molecular formulaC17H24N2O2
IUPAC name2-methyl-N-[3-(2-propyl-1,3-benzoxazol-7-yl)propyl]propanamide
Molecular weight288.391
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50149171
N-[3-(2-Propyl-benzooxazol-7-yl)-propyl]-isobutyramide
SCHEMBL6781523
Inchi KeyBEQGDFNQWJVWGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24N2O2/c1-4-7-15-19-14-10-5-8-13(16(14)21-15)9-6-11-18-17(20)12(2)3/h5,8,10,12H,4,6-7,9,11H2,1-3H3,(H,18,20)
PubChem CID22718654
ChEMBLCHEMBL331636
IUPHARN/A
BindingDB50149171
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki29.0 nMPMID15203165BindingDB,ChEMBL

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