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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

NameCHEMBL7567
Molecular formulaC18H20N2O2
IUPAC nameN-[4-(3-methoxy-N-methylanilino)phenyl]cyclopropanecarboxamide
Molecular weight296.37
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50142227
Cyclopropanecarboxylic acid {4-[(3-methoxy-phenyl)-methyl-amino]-phenyl}-amide
Inchi KeyCAJOTWJRWHHFGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2O2/c1-20(16-4-3-5-17(12-16)22-2)15-10-8-14(9-11-15)19-18(21)13-6-7-13/h3-5,8-13H,6-7H2,1-2H3,(H,19,21)
PubChem CID44264844
ChEMBLCHEMBL7567
IUPHARN/A
BindingDB50142227
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.8 nMPMID15013015BindingDB,ChEMBL

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